SCHEMBL12499744

SCHEMBL12499744

Cc1cc(C)c(CN)c(O)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 3/20 0.33
TKT P29401 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
IDO1 P14902 1/20 0.32
HTR1D P28221 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL14966532 0.82 NCF1 (0.36) POLBHTTLMNAKDM4EALDH1A1
SCHEMBL25880186 0.81 KDM4E (0.36) POLBHTTLMNAKDM4ETKT
SCHEMBL12806956 0.81 ADORA1 (0.39) POLBHTTLMNAKDM4EALDH1A1
SCHEMBL15175070 0.79 ALDH1A1 (0.33) POLBHTTLMNAKDM4ETKT
SCHEMBL12498401 0.79 HTT (0.35) POLBHTTLMNACYP1A2MEN1
SCHEMBL18368343 0.78 POLB (0.38) POLBHTTLMNAKDM4ECYP1A2
SCHEMBL14966555 0.77 AOC1 (0.43) HTTLMNAKDM4EALDH1A1MAPK1
SCHEMBL14966469 0.77 NFKB1 (0.36) HTTLMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL13281846 0.77 POLB (0.33) POLBHTTLMNA
SCHEMBL27167016 0.77 KMT2A (0.32) HTTLMNAMEN1KMT2ANOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154344-A1 2-METHYL-4',5'-DIHYDROSPIRO[PIPERIDINE-4,7'-THIENO[2,3-C]PYRAN] DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed
US-20210188813-A1 EZH2 INHIBITOR AND PHARMACEUTICALLY ACCEPTABLE SALTS AND POLYMORPHIC SUBSTANCES THEREOF, AND APPLICATION OF EZH2 INHIBITOR SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2021-06-24 US disclosed
US-20200262812-A1 4, 5, 6-TRI-SUBSTITUTED INDAZOLES DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN MEDICINES YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-08-20 US disclosed
EP-3441388-A1 4,5,6-TRI-SUBSTITUTED INDAZOLES DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF IN MEDICINES Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2019-02-13 EP disclosed
US-9980952-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2018-05-29 US disclosed
US-9980952-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2018-05-29 US disclosed
US-9980952-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2018-05-29 US disclosed
WO-2018086589-A1 1,5,7-TRI-SUBSTITUTED ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF IN MEDICINES 上海海雁医药科技有限公司 2018-05-17 WO disclosed
US-20170312262-A9 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2017-11-02 US disclosed
US-20170312262-A9 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2017-11-02 US disclosed
EP-2697199-A1 ARYL-OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2014-02-19 EP disclosed
EP-2681216-A2 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. (US) 2014-01-08 EP disclosed
WO-2013120104-A2 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-08-15 WO disclosed
WO-2013075084-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 WO disclosed
WO-2013075084-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 WO disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 WO disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 WO disclosed
WO-2012142513-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2012-10-18 WO disclosed
WO-2012142504-A1 ARYL-OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2012-10-18 WO disclosed
WO-2012118812-A2 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. (US) 2012-09-07 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 (3 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-20170312262-A9 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 POLB 579/4885HTT 3955/4885LMNA 3603/4885
US-20210188813-A1 EZH2 INHIBITOR AND PHARMACEUTICALLY ACCEPTABLE SALTS AND POLYMORPHIC SUBSTANCES THEREOF, AND APPLICATION OF EZH2 INHIBITOR EZH2, BMI1, EED POLB 3442/4885HTT 2897/4885LMNA 4142/4885
US-20200262812-A1 4, 5, 6-TRI-SUBSTITUTED INDAZOLES DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN MEDICINES CYP3A4, CYP4B1, CYP3A7 POLB 4330/4885HTT 3864/4885LMNA 3230/4885

“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.