SCHEMBL170669

SCHEMBL170669

Cc1ccc(Cl)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
RAB9A P51151 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLQ O75417 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
HSD11B1 P28845 3/20 0.41
TMPRSS4 Q9NRS4 1/20 0.40
NOTUM Q6P988 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.39
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
S1PR1 P21453 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
RHEB Q15382 1/20 0.38

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
SCHEMBL4587739 0.84 NOTUM (0.45) HSD11B1NOTUMHTTLMNAS1PR1
SCHEMBL3894448 0.82 HTT (0.41) CYP3A4RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL8737846 0.79 AR (0.60) CYP1A2CYP2C19KDM4ERHEB
SCHEMBL10167452 0.79 MAPT (0.45) SMN1; SMN2TP53MAPTS1PR1
SCHEMBL5744183 0.79 CYP3A4 (0.48) CYP3A4CYP1A2CYP2C19SMN1; SMN2MAPT
SCHEMBL3789153 0.78 CYP3A4 (0.52) CYP3A4RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL5949403 0.76 NOTUM (0.53) NOTUMS1PR1
SCHEMBL987352 0.76 IDO1 (0.50) CYP3A4RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL84053 0.76 SMN1; SMN2 (0.44) CYP1A2SMN1; SMN2TP53NOTUMRAPGEF4
SCHEMBL30742956 0.76 NOTUM (0.53) NOTUMS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112676307-A Method for reducing and recycling catalyst residues 江苏优普生物化学科技股份有限公司 2021-04-20 CN claimed
US-5600036-A 2-trifluoromethyl-4-chlorobenzalchloride and 2-methyl-3-nitro-5-chlorobenzotrifluoride useful as intermediates for preparing 2-methyl-3-aminobenzotrifluoride CENTRAL GLASS COMPANY, LIMITED (JP) 1997-02-04 US claimed
EP-4273147-A1 SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2023-11-08 EP disclosed
US-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2023-01-31 US disclosed
US-11319319-B1 Compounds for inhibiting NLRP3 and uses thereof VENTUS THERAPEUTICS U.S., INC. (US) 2022-05-03 US disclosed
CN-114181074-A Preparation method of p-chlorobenzoyl fluoride 大连奇凯医药科技有限公司 2022-03-15 CN disclosed
US-11225469-B2 Inhibitors of phosphoglycerate dehydrogenase (PHGDH) and uses thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2022-01-18 US disclosed
CN-113710788-A Solvent composition and use thereof 株式会社金子化学 2021-11-26 CN disclosed
CN-113661203-A Acrylic modified polymeric sunscreen agents for use in organic media 阿科玛股份有限公司 2021-11-16 CN disclosed
WO-2021226629-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE AMGEN INC. (US) 2021-11-11 WO disclosed
EP-3892618-A1 4-PYRIDINYL FORMAMIDE COMPOUND OR DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF Qingdao KingAgroot Chemical Compound Co., Ltd. (CN) 2021-10-13 EP disclosed
US-7220765-B2 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (SCRAS) (FR) 2007-05-22 US disclosed
US-20070093529-A1 Diacylhydrazine derivatives MERCK PATENT GMBH (DE) 2007-04-26 US disclosed
US-20070093529-A1 Diacylhydrazine derivatives MERCK PATENT GMBH (DE) 2007-04-26 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2007-02-08 US disclosed
US-5600036-A 2-trifluoromethyl-4-chlorobenzalchloride and 2-methyl-3-nitro-5-chlorobenzotrifluoride useful as intermediates for preparing 2-methyl-3-aminobenzotrifluoride CENTRAL GLASS COMPANY, LIMITED (JP) 1997-02-04 US disclosed
US-5600036-A 2-trifluoromethyl-4-chlorobenzalchloride and 2-methyl-3-nitro-5-chlorobenzotrifluoride useful as intermediates for preparing 2-methyl-3-aminobenzotrifluoride CENTRAL GLASS COMPANY, LIMITED (JP) 1997-02-04 US disclosed
US-5449831-A Process of preparing 2-methyl-3-aminobenzotrifluoride CENTRAL GLASS COMPANY, LIMITED (JP) 1995-09-12 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 (6 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-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R CYP3A4 2798/4885RAB9A 2774/4885CYP1A2 1383/4885
US-11225469-B2 Inhibitors of phosphoglycerate dehydrogenase (PHGDH) and uses thereof PHGDH, PGD, PGK1 CYP3A4 1161/4885RAB9A 1994/4885CYP1A2 1301/4885
US-20070093529-A1 Diacylhydrazine derivatives BRAF, RAF1, NRAS CYP3A4 1795/4885RAB9A 2043/4885CYP1A2 559/4885
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. GHSR, IGF1R, GIPR CYP3A4 4264/4885RAB9A 2756/4885CYP1A2 4075/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA CYP3A4 2041/4885RAB9A 3815/4885CYP1A2 685/4885
US-11319319-B1 Compounds for inhibiting NLRP3 and uses thereof NLRP3, NLRP1, PYCARD CYP3A4 4080/4885RAB9A 2945/4885CYP1A2 3888/4885

“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.