SCHEMBL10150461

SCHEMBL10150461

CC(C)(C)c1ccc(Oc2cccnc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
KIF11 P52732 1/20 0.56
CYP19A1 P11511 3/20 0.56
ALDH1A1 P00352 3/20 0.55
THRB P10828 1/20 0.55
RAB9A P51151 6/20 0.52
MAPK1 P28482 2/20 0.52
GALR3 O60755 1/20 0.52
NPC1 O15118 4/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
LTA4H P09960 2/20 0.50
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14527424 0.86 RAB9A (0.63) LMNAALDH1A1THRBRAB9AMAPK1
SCHEMBL24977263 0.85 KIF11 (0.81) KIF11CYP19A1ALDH1A1THRBRAB9A
SCHEMBL16114401 0.84 LMNA (0.75) LMNATDP1CYP19A1ALDH1A1RAB9A
SCHEMBL23951767 0.83 LMNA (0.68) LMNATDP1KIF11CYP19A1ALDH1A1
SCHEMBL7302329 0.83 RAB9A (0.76) LMNATDP1ALDH1A1RAB9AMAPK1
SCHEMBL27968872 0.81 LMNA (0.69) LMNATDP1CYP19A1ALDH1A1RAB9A
SCHEMBL676142 0.80 LMNA (0.82) LMNATDP1CYP19A1ALDH1A1LTA4H
SCHEMBL30535283 0.80 LMNA (0.82) LMNATDP1CYP19A1ALDH1A1LTA4H
SCHEMBL13657778 0.80 RAB9A (0.64) LMNATDP1KIF11ALDH1A1THRB
SCHEMBL169035 0.79 LMNA (0.62) LMNATDP1CYP19A1ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
CN-114805192-B Tricyclic XOR/URAT1 dual inhibitor containing 2-hydroxybenzoic acid and preparation method and application thereof 华南理工大学 2023-05-23 CN disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-11572337-B2 Antibacterial agents: arylalkylcarboxamido phloroglucinols RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-02-07 US disclosed
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2023-01-03 US disclosed
CN-114805192-A Tricyclic XOR/URAT1 dual inhibitor containing 2-hydroxybenzoic acid and preparation method and application thereof 华南理工大学 2022-07-29 CN disclosed
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2022-01-04 US disclosed
US-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-05-11 US disclosed
US-20120041008-A1 4-Phenyl-6-(2,2,2-trifluoro-1-phenylethoxy)pyrimidine-Based Compounds and Methods of Their Use TERSERA THERAPEUTICS LLC 2012-02-16 US disclosed
US-20120041008-A1 4-Phenyl-6-(2,2,2-trifluoro-1-phenylethoxy)pyrimidine-Based Compounds and Methods of Their Use TERSERA THERAPEUTICS LLC 2012-02-16 US disclosed
US-7968559-B2 Methods of using 4-phenyl-6-(2,2,2-trifluoro-1-phenylethoxy)pyrimidine-based compounds LEXICON PHARMACEUTICALS, INC. (US) 2011-06-28 US disclosed
US-7968559-B2 Methods of using 4-phenyl-6-(2,2,2-trifluoro-1-phenylethoxy)pyrimidine-based compounds LEXICON PHARMACEUTICALS, INC. (US) 2011-06-28 US disclosed
US-20100311764-A1 Methods of using 4-Phenyl-6-(2,2,2-trifluoro-1-phenylethoxy)pyrimidine-Based Compounds TERSERA THERAPEUTICS LLC 2010-12-09 US disclosed
US-20100311764-A1 Methods of using 4-Phenyl-6-(2,2,2-trifluoro-1-phenylethoxy)pyrimidine-Based Compounds TERSERA THERAPEUTICS LLC 2010-12-09 US disclosed
US-7709493-B2 Tryptophan hydroxylase inhibitors; anticarcinogenic agents; gastrointestinal, cardiovascular, and respiratory system disorders; (S)-2-amino-3-[4-(2-amino-6-{R-1-[4-chloro-2-(3-methyl-pyrazol-1-yl)-phenyl]-2,2,2-trifluoro-ethoxy}-pyrimidin-4-yl)-phenyl]-propionic acid ethyl ester LEXICON PHARMACEUTICALS, INC. (US) 2010-05-04 US disclosed
US-20090286817-A1 Tryptophan hydroxylase inhibitors; anticarcinogenic agents; gastrointestinal, cardiovascular, and respiratory system disorders; (S)-2-amino-3-[4-(2-amino-6-{R-1-[4-chloro-2-(3-methyl-pyrazol-1-yl)-phenyl]-2,2,2-trifluoro-ethoxy}-pyrimidin-4-yl)-phenyl]-propionic acid ethyl ester TERSERA THERAPEUTICS LLC 2009-11-19 US disclosed
US-7553840-B2 Tryptophan hydroxylase inhibitors; anticarcinogenic agents; gastrointestinal, cardiovascular, and respiratory system disorders LEXICON PHARMACEUTICALS, INC. (US) 2009-06-30 US disclosed
US-20080153852-A1 Tryptophan hydroxylase inhibitors; anticarcinogenic agents; gastrointestinal, cardiovascular, and respiratory system disorders TERSERA THERAPEUTICS LLC 2008-06-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090286817-A1 Tryptophan hydroxylase inhibitors; anticarcinogenic agents; gastrointestinal, cardiovascular, and respiratory system disorders; (S)-2-amino-3-[4-(2-amino-6-{R-1-[4-chloro-2-(3-methyl-pyrazol-1-yl)-phenyl]-2,2,2-trifluoro-ethoxy}-pyrimidin-4-yl)-phenyl]-propionic acid ethyl ester TPH1, TPH2, PAH LMNA 1906/4885TDP1 225/4885KIF11 4733/4885
US-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS LMNA 3109/4885TDP1 3901/4885KIF11 3111/4885
US-11572337-B2 Antibacterial agents: arylalkylcarboxamido phloroglucinols RNGTT, FBL, POLR1C LMNA 3927/4885TDP1 1233/4885KIF11 773/4885
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 LMNA 3509/4885TDP1 3252/4885KIF11 3191/4885
US-20120041008-A1 4-Phenyl-6-(2,2,2-trifluoro-1-phenylethoxy)pyrimidine-Based Compounds and Methods of Their Use TPMT, DPYD, TYMP LMNA 1478/4885TDP1 153/4885KIF11 3815/4885
US-20080153852-A1 Tryptophan hydroxylase inhibitors; anticarcinogenic agents; gastrointestinal, cardiovascular, and respiratory system disorders TPH1, TPH2, MAOA LMNA 967/4885TDP1 242/4885KIF11 4808/4885
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS LMNA 3109/4885TDP1 3901/4885KIF11 3111/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS LMNA 3109/4885TDP1 3901/4885KIF11 3111/4885
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease HRAS, KRAS, NRAS LMNA 3109/4885TDP1 3901/4885KIF11 3111/4885
US-20100311764-A1 Methods of using 4-Phenyl-6-(2,2,2-trifluoro-1-phenylethoxy)pyrimidine-Based Compounds TPMT, PYGL, DPYD LMNA 1638/4885TDP1 399/4885KIF11 3954/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.