SCHEMBL146397

SCHEMBL146397

Nc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.64
TSHR P16473 2/20 0.64
GLA P06280 1/20 0.64
POLB P06746 1/20 0.64
KIF11 P52732 2/20 0.53
MPL P40238 3/20 0.47
AR P10275 6/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SRC P12931 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TLR9 Q9NR96 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL29422813 1.00 GAA (0.64) GAATSHRGLAPOLBKIF11
Hydrochloric Acid SCHEMBL4372872 0.98 GAA (0.61) GAATSHRGLAPOLBKIF11
Hydrochloric Acid SCHEMBL31582982 0.98 GAA (0.61) GAATSHRGLAPOLBKIF11
Sulfuric Acid SCHEMBL8328478 0.88 TSHR (0.52) GAATSHRGLAPOLBKIF11
SCHEMBL4427514 0.82 GAA (0.48) GAATSHRGLAPOLBKIF11
SCHEMBL29487197 0.81 KIF11 (0.70) GAATSHRGLAPOLBKIF11
SCHEMBL378627 0.81 KIF11 (0.70) GAATSHRGLAPOLBKIF11
SCHEMBL29420085 0.80 TSHR (0.70) GAATSHRGLAPOLBKIF11
SCHEMBL827884 0.80 TSHR (0.70) GAATSHRGLAPOLBKIF11
SCHEMBL2716678 0.79 POLB (0.45) GAATSHRGLAPOLBKIF11

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 1039 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240270970-A1 METHOD OF MANIPULATING HYDROPHILICITY AND HYDROPHOBICITY OF CONVENTIONAL DYE MOLECULES FOR TRACER APPLICATIONS SAUDI ARABIAN OIL COMPANY (SA) 2024-08-15 US claimed
CN-116666894-A Heat-resistant composite diaphragm and preparation method thereof 天能电池集团股份有限公司 2023-08-29 CN claimed
US-20230183488-A1 METHOD OF MANIPULATING HYDROPHILICITY AND HYDROPHOBICITY OF CONVENTIONAL DYE MOLECULES FOR TRACER APPLICATIONS SAUDI ARABIAN OIL COMPANY (SA) 2023-06-15 US claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
CN-104592116-B 1,3,5-trisubstituted pyrazole compounds, and preparation method and application thereof 山东大学 2017-01-11 CN claimed
CN-104592116-A 1,3,5-trisubstituted pyrazole compounds, and preparation method and application thereof UNIV SHANDONG 2015-05-06 CN claimed
CN-103373938-A 4-ethoxy-1,3-phenylenedimethylene amide compounds as well as preparation methods and applications thereof UNIV TIANJIN TECHNOLOGY 2013-10-30 CN claimed
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 EP claimed
CN-102951996-A Synthesis method of 2-bromo-5-fluorobenzotrifluoride DALIAN JOIN KING BIOLOG CHEMICAL TECHNOLOGY CO LTD 2013-03-06 CN claimed
CN-102766067-A Synthetic method of beflubutamid TAICANG YUNTONG CHEMICAL FACTORY 2012-11-07 CN claimed
WO-2007020046-A1 BENZOQUINAZOLINE DERIVATIVES AND THEIR USE IN TREATING BONE DISORDERS NOVARTIS AG (CH) 2007-02-22 WO claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
US-6861524-B2 Acyl and sulfonyl derivatives of 6,9-disubstituted 2-(trans-1,4-diaminocyclohexyl)-purines and their use as antiproliferative agents AVENTIS PHARMACEUTICALS INC. (US) 2005-03-01 US claimed
EP-1377579-A2 ACYL AND SULFONYL DERIVATIVES OF 6,9-DISUBSTITUTED 2-(TRANS-1,4-DIAMINOCYCLOHEXYL)-PURINES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS Aventis Pharmaceuticals Inc. (US) 2004-01-07 EP claimed
US-20030069259-A1 Acyl and sulfonyl derivatives of 6,9-disubstituted 2-(trans-1,4-diaminocyclohexyl)-purines and their use as antiproliferative agents AVENTISUB LLC 2003-04-10 US claimed
WO-2002042303-A2 ACYL AND SULFONYL DERIVATIVES OF 6,9-DISUBSTITUTED 2-(TRANS-1,4-DIAMINOCYCLOHEXYL)-PURINES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS AVENTIS PHARMACEUTICALS INC. (US) 2002-05-30 WO claimed
US-5892126-A FORMING SULFATE SALT OF 4-FLUORO-3-TRIFLUOROMETHYL ANILINE IN WATER, DIAZOTIZING, HYDROLYZING IN AQUEOUS COPPER SULFATE SOLUTION UBE INDUSTRIES, LTD. (JP) 1999-04-06 US claimed
US-5354495-A Homo- or copolymerizable through ethylenic unsaturation NIPPON PAINT CO., LTD. (JP) 1994-10-11 US claimed
EP-0177122-B1 ACRYLAMIDE DERIVATIVES Nippon Paint Co., Ltd. (JP) 1992-04-01 EP claimed
US-4935413-A ELASTICITY, ADHESION AND DISPERSIBILITY NIPPON PAINT CO., LTD. (JP) 1990-06-19 US claimed

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

For each of this compound's patents that has machine-readable text (1 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-20030069259-A1 Acyl and sulfonyl derivatives of 6,9-disubstituted 2-(trans-1,4-diaminocyclohexyl)-purines and their use as antiproliferative agents BAD, BAX, MCL1 GAA 784/4885TSHR 2462/4885GLA 2485/4885

“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.