SCHEMBL8305032

SCHEMBL8305032

CCc1ccc2cc(C)[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.57
KIF11 P52732 1/20 0.46
CYP2A6 P11509 2/20 0.45
CYP1A2 P05177 1/20 0.45
MAPT P10636 8/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TRPA1 O75762 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KEAP1 Q14145 1/20 0.41
LMNA P02545 3/20 0.40
AXL P30530 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ALOX12 P18054 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX15 P16050 1/20 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
SCHEMBL18235096 0.85 MAPT (0.43) DAOCYP2A6MAPTRXFP1KDM4E
SCHEMBL8999779 0.84 MAPT (0.57) CYP2A6MAPTKDM4EALDH1A1KEAP1
SCHEMBL24215891 0.82 MAPT (0.44) DAOCYP2A6MAPTKDM4EALDH1A1
SCHEMBL30460450 0.82 MAPT (0.44) DAOCYP2A6MAPTKDM4EALDH1A1
SCHEMBL16720714 0.79 MAPT (0.46) DAOCYP2A6MAPTKDM4EALDH1A1
SCHEMBL4568038 0.79 DAO (0.53) DAOKIF11CYP2A6CYP1A2MAPT
SCHEMBL24216246 0.79 MAOA (0.46) DAOCYP2A6MAPTKDM4EALDH1A1
SCHEMBL12829826 0.78 DAO (0.56) DAOKIF11CYP2A6CYP1A2MAPT
SCHEMBL13701237 0.77 AXL (0.41) DAOCYP2A6MAPTKDM4EALDH1A1
SCHEMBL12810053 0.76 DAO (0.53) DAOKIF11CYP2A6CYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024145483-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CANCER AND METHODS OF MAKING AND USING THE SAME HTG MOLECULAR DIAGNOSTICS, INC. (US) 2024-07-04 WO disclosed
EP-3438095-B1 PYRIDAZINONE COMPOUND OR ITS SALT, AND HERBICIDE CONTAINING IT ISHIHARA SANGYO KAISHA (JP) 2021-06-16 EP disclosed
EP-3438095-A1 PYRIDAZINONE-TYPE COMPOUND OR SALT THEREOF, AND HERBICIDE COMPRISING SAME Ishihara Sangyo Kaisha, Ltd. (JP) 2019-02-06 EP disclosed
WO-2017189663-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2017-11-02 WO disclosed
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-20170157105-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
US-9399648-B2 Isothiazolopyridinones useful for the treatment of (inter alia) cystic fibrosis VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-07-26 US disclosed
US-20150031720-A1 ISOTHIAZOLOPYRIDINONES USEFUL FOR THE TREATMENT OF (INTER ALIA) CYSTIC FIBROSIS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-01-29 US disclosed
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2014-11-06 US disclosed
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US disclosed
US-8242149-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-14 US disclosed
US-8101767-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-24 US disclosed
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorported (US) 2011-04-28 US disclosed
US-20100249180-A1 ISOTHIAZOLOPYRIDINONES USEFUL FOR THE TREATMENT OF (INTER ALIA) CYSTIC FIBROSIS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-30 US disclosed
US-20100168158-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-01 US disclosed
US-20090246820-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED 2009-10-01 US disclosed
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-10 US disclosed
US-20070264196-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-11-15 US disclosed
EP-0915871-A1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F. HOFFMANN-LA ROCHE AG (CH) 1999-05-19 EP disclosed
WO-1998004553-A1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F.HOFFMANN-LA ROCHE AG (CH) 1998-02-05 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 (9 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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 DAO 1940/4885KIF11 3117/4885CYP2A6 3293/4885
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 DAO 4079/4885KIF11 4684/4885CYP2A6 1793/4885
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES CFTR, SLC26A4, ABCB11 DAO 4032/4885KIF11 3414/4885CYP2A6 1339/4885
US-20070264196-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 DAO 4087/4885KIF11 4681/4885CYP2A6 1700/4885
US-20100249180-A1 ISOTHIAZOLOPYRIDINONES USEFUL FOR THE TREATMENT OF (INTER ALIA) CYSTIC FIBROSIS CFTR, ABCB1, ABCC8 DAO 3070/4885KIF11 4563/4885CYP2A6 2090/4885
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 DAO 4032/4885KIF11 3414/4885CYP2A6 1339/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS DAO 2657/4885KIF11 3591/4885CYP2A6 2582/4885
US-20150031720-A1 ISOTHIAZOLOPYRIDINONES USEFUL FOR THE TREATMENT OF (INTER ALIA) CYSTIC FIBROSIS CFTR, ABCB1, ABCC8 DAO 3070/4885KIF11 4563/4885CYP2A6 2090/4885
US-20100168158-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, ABCB1, ABCC1 DAO 3982/4885KIF11 4590/4885CYP2A6 3243/4885

“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.