SCHEMBL4673983

SCHEMBL4673983

CNCc1ccc2cc(OC)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.59
PAX8 Q06710 1/20 0.59
SLC2A1 P11166 1/20 0.56
PTGS1 P23219 1/20 0.54
AKR1C3 P42330 1/20 0.54
AKR1C2 P52895 1/20 0.54
CYP1A2 P05177 2/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAOA P21397 1/20 0.51
SLC6A2 P23975 1/20 0.51
RAB9A P51151 1/20 0.51
SLC6A3 Q01959 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PTGS2 P35354 1/20 0.51
CYP2A6 P11509 1/20 0.50

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
SCHEMBL9667596 0.81 CHRM2 (0.67) RAD52PAX8SLC2A1PTGS1AKR1C3
SCHEMBL9831 0.81 ALDH1A1 (0.59) MAPTNPC1LMNARAB9AMEN1
SCHEMBL18745617 0.81 NOS1 (0.46) RAD52PAX8LMNATP53HTR7
Hydrochloric Acid SCHEMBL5057702 0.79 ALDH1A1 (0.57) KDM4EMAPTNPC1CYP3A4RAB9A
SCHEMBL4675400 0.79 NOS1 (0.42) RAD52PAX8SLC2A1KDM4ESMN1; SMN2
SCHEMBL4670392 0.79 KDM4E (0.66) RAD52PAX8SLC2A1PTGS1AKR1C3
SCHEMBL14756184 0.79 CHRM2 (0.63) RAD52PAX8SLC2A1PTGS1AKR1C3
SCHEMBL29370584 0.78 CHRM2 (0.68) KDM4EMAPTSMN1; SMN2HTR7MEN1
SCHEMBL297410 0.78 CHRM2 (0.68) KDM4EMAPTSMN1; SMN2HTR7MEN1
SCHEMBL2056268 0.78 AKR1C3 (0.59) RAD52PAX8SLC2A1PTGS1AKR1C3

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11254681-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases NUEVOLUTION A/S (DK) 2022-02-22 US disclosed
US-20200392140-A1 OPTIONALLY FUSED HETEROCYCLYL- SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2020-12-17 US disclosed
US-10683293-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases NUEVOLUTION A/S (DK) 2020-06-16 US disclosed
US-20170342074-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2017-11-30 US disclosed
US-20170342074-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2017-11-30 US disclosed
US-9499862-B2 Phospholinked dye analogs with an amino acid linker PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2016-11-22 US disclosed
US-20150197794-A1 Phospholinked Dye Analogs with an Amino Acid Linker PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2015-07-16 US disclosed
US-7547716-B2 Sulfonamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-06-16 US disclosed
US-7547716-B2 Sulfonamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-06-16 US disclosed
EP-1397341-B1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH CORP (US) 2008-08-06 EP disclosed
EP-1402890-B1 SULFONAMIDE DERIVATIVES INST MED MOLECULAR DESIGN INC (JP) 2008-01-09 EP disclosed
EP-1397341-A1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) Wyeth (US) 2004-03-17 EP disclosed
US-6589970-B2 This invention provides novel compounds, pharmaceutical compositions and methods of treating thrombotic disorders in mammals, the compounds having the formula: WYETH 2003-07-08 US disclosed
US-20030045560-A1 6-(Aryl-amido or aryl-amidomethyl)-naphthalen-2-yloxy-acidic derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) WYETH 2003-03-06 US disclosed
WO-2003000649-A1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH (US) 2003-01-03 WO 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 (6 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-11254681-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases PPARD, PPARG, RORC RAD52 2473/4885PAX8 1616/4885SLC2A1 2368/4885
US-20200392140-A1 OPTIONALLY FUSED HETEROCYCLYL- SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES PPARD, PPARG, RORC RAD52 2473/4885PAX8 1616/4885SLC2A1 2368/4885
US-20170342074-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES PPARD, PPARG, RORC RAD52 2473/4885PAX8 1616/4885SLC2A1 2368/4885
US-10683293-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases PPARD, PPARG, RORC RAD52 2473/4885PAX8 1616/4885SLC2A1 2368/4885
US-20030045560-A1 6-(Aryl-amido or aryl-amidomethyl)-naphthalen-2-yloxy-acidic derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) SERPINC1, F11, SERPINE1 RAD52 4376/4885PAX8 3737/4885SLC2A1 3088/4885
US-20150197794-A1 Phospholinked Dye Analogs with an Amino Acid Linker INCENP, CHAMP1, PNKP RAD52 1145/4885PAX8 762/4885SLC2A1 3327/4885

“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.