SCHEMBL6370607

SCHEMBL6370607

CC(C)(C)c1cccnc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.52
ALDH1A1 P00352 5/20 0.50
TSHR P16473 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 1/20 0.43
ALOX5 P09917 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
ALOX15 P16050 2/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
ATP2A2 P16615 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATP2A3 Q93084 1/20 0.39
PLCG1 P19174 1/20 0.38
ALOX12 P18054 1/20 0.37
P2RY1 P47900 2/20 0.37

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
SCHEMBL11972375 0.85 CA2 (0.37) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL18745368 0.81 TDP1 (0.38) CA2ALDH1A1TSHRTDP1KDM4E
SCHEMBL909449 0.79 MEN1 (0.44) KDM4EKMT2ALMNANFE2L2
SCHEMBL8765692 0.79 ALDH1A1 (0.34) ALDH1A1TSHRTDP1KDM4EKMT2A
SCHEMBL1741840 0.78 ALDH1A1 (0.44) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL25138846 0.76 CA2 (0.46) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL231343 0.76 CA2 (0.41) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL799554 0.76 CA2 (0.41) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL24858173 0.76 CA2 (0.41) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL31292262 0.76 PLCG1 (0.64) TSHRTDP1KDM4EALOX15PLCG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS Epizyme, Inc. (US) 2023-11-09 US disclosed
US-11685732-B2 MYST family histone acetyltransferase inhibitors Epizyme, Inc. (US) 2023-06-27 US disclosed
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 US disclosed
US-20230002361-A1 2H-INDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. 2023-01-05 US disclosed
US-11498926-B2 Tricyclic heterocycles as BET protein inhibitors INCYTE CORPORATION (US) 2022-11-15 US disclosed
US-20210188872-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORTION 2021-06-24 US disclosed
US-10919912-B2 Tricyclic heterocycles as BET protein inhibitors INCYTE HOLDINGS CORPORATION (US) 2021-02-16 US disclosed
US-10875839-B2 Somatostatin modulators and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2020-12-29 US disclosed
US-20200361896-A1 TRICYCLIC COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2020-11-19 US disclosed
US-20130079337-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-28 US disclosed
US-8247401-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2012-08-21 US disclosed
US-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
US-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2012-05-03 US disclosed
US-7932283-B2 Fungicide N-cyclopropyl-sulfonylamide derivatives BAYER CROPSCIENCE AG (DE) 2011-04-26 US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 US disclosed
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives BAYER CROPSCIENCE AG (DE) 2009-05-28 US disclosed
US-7498341-B2 antidiabetic agents; type 2 diabetes SANOFI AVENTIS DEUTSCHLAND GMBH (DE) 2009-03-03 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 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 (16 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 CA2 1125/4885ALDH1A1 2674/4885TSHR 181/4885
US-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS PTAFR, PAFAH1B2, PAFAH1B3 CA2 3807/4885ALDH1A1 3004/4885TSHR 1383/4885
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS EP300, KAT2A, KAT6A CA2 4296/4885ALDH1A1 2786/4885TSHR 3589/4885
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 CA2 1691/4885ALDH1A1 2538/4885TSHR 1614/4885
US-20130079337-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CYP11B2, COQ8A, CYP1A2 CA2 3490/4885ALDH1A1 88/4885TSHR 1626/4885
US-20210188872-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 CA2 4527/4885ALDH1A1 4459/4885TSHR 1771/4885
US-11685732-B2 MYST family histone acetyltransferase inhibitors EP300, KAT2A, KAT6A CA2 4296/4885ALDH1A1 2786/4885TSHR 3589/4885
US-20230002361-A1 2H-INDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE IRAK4, IRAK3, IRAK2 CA2 2445/4885ALDH1A1 1071/4885TSHR 3122/4885
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS CA2 4126/4885ALDH1A1 1238/4885TSHR 4141/4885
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF ERBB2, ACP1, TK1 CA2 4372/4885ALDH1A1 2221/4885TSHR 2615/4885
US-20200361896-A1 TRICYCLIC COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS EHMT1, EHMT2, BMI1 CA2 2533/4885ALDH1A1 1093/4885TSHR 3294/4885
US-11498926-B2 Tricyclic heterocycles as BET protein inhibitors BRD1, BRD3, BRD2 CA2 4527/4885ALDH1A1 4459/4885TSHR 1771/4885
US-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP1, MMP9, MMP2 CA2 1875/4885ALDH1A1 648/4885TSHR 950/4885
US-20090137611-A1 Fungicide N-Cyclopropyl-Sulfonylamide Derivatives CYP51A1, ERG28, CBR3 CA2 479/4885ALDH1A1 2140/4885TSHR 2995/4885
US-10875839-B2 Somatostatin modulators and uses thereof SSTR5, SSTR2, SSTR4 CA2 704/4885ALDH1A1 4626/4885TSHR 70/4885
US-10919912-B2 Tricyclic heterocycles as BET protein inhibitors BRD1, BRD3, BRD2 CA2 4527/4885ALDH1A1 4459/4885TSHR 1771/4885

“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.