SCHEMBL680046

SCHEMBL680046

CC(=O)Oc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.50
TSHR P16473 4/20 0.50
ALDH1A1 P00352 4/20 0.50
LMNA P02545 3/20 0.50
CYP3A4 P08684 2/20 0.50
ESR1 P03372 2/20 0.50
HIF1A Q16665 2/20 0.50
ABCB11 O95342 1/20 0.50
ADRA2A P08913 1/20 0.50
CYP2C9 P11712 1/20 0.50
PDE4A P27815 1/20 0.50
ADRA1A P35348 1/20 0.50
OPRK1 P41145 1/20 0.50
STAT6 P42226 1/20 0.50
SLC6A3 Q01959 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL29721865 1.00 KDM4E (0.50) KDM4ETSHRALDH1A1LMNACYP3A4
SCHEMBL11122315 0.98 KDM4E (0.49) KDM4ETSHRALDH1A1LMNACYP3A4
Hydrochloric Acid SCHEMBL711904 0.98 KDM4E (0.49) KDM4ETSHRALDH1A1LMNACYP3A4
Dimethylamine SCHEMBL3686153 0.94 KDM4E (0.46) KDM4ETSHRALDH1A1LMNACYP3A4
Formic Acid SCHEMBL28236591 0.93 KDM4E (0.45) KDM4ETSHRALDH1A1LMNACYP3A4
Pyrrole SCHEMBL28102266 0.89 TSHR (0.43) KDM4ETSHRALDH1A1LMNACYP3A4
Maleic Acid SCHEMBL27920212 0.89 KDM4E (0.44) KDM4ETSHRALDH1A1LMNACYP3A4
SCHEMBL9685375 0.87 KDM4E (0.41) KDM4ETSHRALDH1A1LMNACYP3A4
SCHEMBL3328912 0.83 KDM4E (0.44) KDM4ETSHRALDH1A1LMNACYP3A4
SCHEMBL11865903 0.83 CES2 (0.46) KDM4ETSHRALDH1A1LMNAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025217636-A1 ACID-CLEAVABLE CLICKABLE LINKERS FOR EFFICIENT ENRICHMENT OF ALKYNE-TAGGED BIOMOLECULES UNIVERSITY OF HOUSTON (US) 2025-10-16 WO claimed
CN-110514766-A The measuring method of trichloromethyl pyridine in a kind of food CHINESE ACAD INSPECTION & QUARANTINE 2019-11-29 CN claimed
CN-109970815-A Pyridyl group rhodium catalyst and its preparation method and application 宁夏大学 2019-07-05 CN claimed
CN-109311907-A Preparation method of high-purity prasugrel 吉瑞工厂 2019-02-05 CN claimed
CN-108947962-A It is applied in a kind of aluminium ion fluorescence probe and preparation method thereof and food inspection 南京林业大学 2018-12-07 CN claimed
CN-107400898-A A kind of synthetic method of 2 pyridine carboxylic acid methyl esters 聊城大学 2017-11-28 CN claimed
CN-107200729-A One kind 4(2 methoxyphenyls)‑5‑(2 pyridine radicals) 3 amido isoxazoles preparation method 无锡捷化医药科技有限公司 2017-09-26 CN claimed
CN-103443099-B Regulate composition and the method for FXR NOVARTIS AG (CH) 2016-03-23 CN claimed
CN-105341990-A Electronic cigarette liquid for improving physiological satisfaction of electronic cigarette CHINA TOBACCO ZHEJIANG IND CO 2016-02-24 CN claimed
CN-105315335-A Imidazopyridly-6-formyl-Met-Gln-OBzl, and synthesis, activity and application thereof UNIV CAPITAL MEDICAL SCIENCES 2016-02-10 CN claimed
CN-100384842-C 8-substituted imidazopyridines ALTANA PHARMA AG (DE) 2008-04-30 CN claimed
US-20080086008-A1 N-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl}-2-trifluoromethylbenzamide; starting with a halogenobenzoyl derivative to produce a N-acetoxymethylcarboxamide derivative and then coupling it with a 2-pyridyl acetate derivative; pesticide BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2008-04-10 US claimed
EP-1831169-A2 PROCESS FOR THE PREPARATION OF A 2-PYRIDYLETHYLCARBOXAMIDE DERIVATIVE Bayer CropScience S.A. (FR) 2007-09-12 EP claimed
CN-1993437-A Polishing composition for noble metals CABOT MICROELECTRONICS CORP (US) 2007-07-04 CN claimed
WO-2006067103-A2 PROCESS FOR THE PREPARATION OF A 2-PYRIDYLETHYLCARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE SA (FR) 2006-06-29 WO claimed
CN-1694871-A Imidazolopyridines and methods of making and using the same BIOGEN INC (US) 2005-11-09 CN claimed
EP-1309590-A1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2003-05-14 EP claimed
WO-2001098299-A1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2001-12-27 WO claimed
CN-1214690-A Specific immunophilin ligands as antiasthmatics and immunosuppressants ASTA MEDICA AG (DE) 1999-04-21 CN claimed
EP-0204535-B1 N-FLUOROPYRIDINIUM SALT AND PROCESS FOR PREPARING SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-08-19 EP 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-20080086008-A1 N-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl}-2-trifluoromethylbenzamide; starting with a halogenobenzoyl derivative to produce a N-acetoxymethylcarboxamide derivative and then coupling it with a 2-pyridyl acetate derivative; pesticide DDT, PFAS, AADAC KDM4E 1549/4885TSHR 458/4885ALDH1A1 909/4885

“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.