SCHEMBL439937

SCHEMBL439937

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
GAA P10253 3/20 0.56
POLB P06746 2/20 0.56
GLA P06280 1/20 0.56
CYP3A4 P08684 4/20 0.52
KIF11 P52732 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ALDH1A1 P00352 5/20 0.41
HPGD P15428 2/20 0.41
CASP1 P29466 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 2/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
AR P10275 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
SRC P12931 1/20 0.41
CASP7 P55210 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
SCHEMBL29944898 1.00 TSHR (0.56) TSHRGAAPOLBGLACYP3A4
Hydrochloric Acid SCHEMBL14935577 0.98 TSHR (0.54) TSHRGAAPOLBGLACYP3A4
SCHEMBL5958773 0.83 CYP3A4 (0.48) TSHRGAAPOLBGLACYP3A4
SCHEMBL29938047 0.83 CYP3A4 (0.48) TSHRGAAPOLBGLACYP3A4
SCHEMBL30574189 0.82 TSHR (0.61) TSHRGAAPOLBGLACYP3A4
SCHEMBL203216 0.82 TSHR (0.61) TSHRGAAPOLBGLACYP3A4
Hydrochloric Acid SCHEMBL4383138 0.80 TSHR (0.59) TSHRGAAPOLBGLACYP3A4
Fluoride SCHEMBL10883445 0.80 TSHR (0.59) TSHRGAAPOLBGLACYP3A4
Hydrochloric Acid SCHEMBL9827180 0.80 TSHR (0.59) TSHRGAAPOLBGLACYP3A4
SCHEMBL31078134 0.79 CA1 (0.45) TSHRGAAPOLBGLACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115433093-A Preparation method of 3-chloro-4-trifluoromethylaniline 无锡双启科技有限公司 2022-12-06 CN claimed
CN-113874372-A Novel oxadiazole compounds for controlling or preventing phytopathogenic fungi PI工业有限公司 2021-12-31 CN claimed
EP-2491022-B1 DIAZEPAN DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS HOFFMANN LA ROCHE (CH) 2014-12-31 EP claimed
EP-2486042-B1 BICYCLIC HETEROCYCLES AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2014-01-22 EP claimed
US-8471004-B2 Bicyclic compounds HOFFMAN-LA ROCHE INC. (US) 2013-06-25 US claimed
US-8445674-B2 Heterocyclyl compounds Hoffmann-La Roche Inc (US) 2013-05-21 US claimed
EP-2491022-A1 DIAZEPAM DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS F. Hoffmann-La Roche AG (CH) 2012-08-29 EP claimed
EP-2486042-A1 BICYCLIC HETEROCYCLES AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2012-08-15 EP claimed
JP-5065258-A None JP disclosed
EP-4161642-B1 N-PHENYLAMINOCARBONYL PYRIDINO- , PYRIMIDINO AND BENZO-TROPANES AS MODULATORS OF GPR65 PATHIOS THERAPEUTICS LTD (GB) 2026-05-27 EP disclosed
US-20260132119-A1 Alkylphenyl Substituted Compounds, Compositions and Methods of Use DEEP APPLE THERAPEUTICS, INC. (US) 2026-05-14 US disclosed
CN-122029167-A Condensed heteroaryl compound, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2026-05-12 CN disclosed
US-20250320224-A1 NOVEL PAR-2 INHIBITORS DOMAIN THERAPEUTICS (FR) 2025-10-16 US disclosed
US-12357615-B2 Compositions for the treatment of brain tumors KEMBI THERAPEUTICS PTY LTD (AU) 2025-07-15 US disclosed
EP-0012435-A2 Isoxazole derivatives, process for their preparation, medicines containing them and intermediates required in this process HOECHST AKTIENGESELLSCHAFT (DE) 1980-06-25 EP disclosed
EP-0008435-A2 Substituted N-phenyl-N'-benzoyl-thioureas, their preparation and their use as pesticides BAYER AG (DE) 1980-03-05 EP disclosed
US-4183949-A Pesticidally active 1-arylamino-2,4-dinitronaphthalenes BAYER AKTIENGESELLSCHAFT (DE) 1980-01-15 US disclosed
EP-0004642-A1 Diaryl amines, process for their preparation and their use BAYER AG (DE) 1979-10-17 EP disclosed
US-4162329-A Combating fungi with dicarboxylic acid mono-arylhydrazides BAYER AKTIENGESELLSCHAFT (DE) 1979-07-24 US disclosed
US-3975534-A Pharmaceutical compositions useful for treating tick infestation in animals which contain 2-aryliminopyrrolidines or their salts as the active agent BAYER AKTIENGESELLSCHAFT (DT) 1976-08-17 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 (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-20250320224-A1 NOVEL PAR-2 INHIBITORS F2RL1, F2R, F2RL3 TSHR 4098/4885GAA 4408/4885POLB 4641/4885
US-20260132119-A1 Alkylphenyl Substituted Compounds, Compositions and Methods of Use GIPR, MC2R, GRPR TSHR 37/4885GAA 633/4885POLB 2709/4885
US-12357615-B2 Compositions for the treatment of brain tumors NR3C2, NR3C1, CRH TSHR 161/4885GAA 2009/4885POLB 4414/4885

“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.