SCHEMBL289565

SCHEMBL289565

COC(=O)c1ccc(C#N)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.45
ALDH1A1 P00352 3/20 0.45
GAA P10253 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
GLA P06280 1/20 0.45
MAPT P10636 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ATM Q13315 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NAMPT P43490 1/20 0.44
POLB P06746 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK4 Q16654 1/20 0.43

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
SCHEMBL30373299 0.86 ALDH1A1 (0.44) ALDH1A1GAAKDM4EHPGDNAMPT
SCHEMBL1321345 0.86 ALDH1A1 (0.44) ALDH1A1GAAKDM4EHPGDNAMPT
SCHEMBL11520744 0.86 CA12 (0.46) ALDH1A1GAAKDM4EHPGDGLA
SCHEMBL286232 0.83 CA12 (0.49) ALDH1A1GAAKDM4EGLAMAPT
SCHEMBL5961092 0.83 CA12 (0.61) ALDH1A1GAAKDM4EHPGDGLA
SCHEMBL409948 0.83 MEN1 (0.50) ALDH1A1GAAMAPTPOLBCA12
SCHEMBL8176501 0.83 KDM4E (0.45) ALDH1A1GAAKDM4EHPGDGLA
SCHEMBL10412413 0.83 KDM4E (0.45) ALDH1A1GAAKDM4EHPGDGLA
SCHEMBL16951696 0.83 KDM4E (0.45) ALDH1A1GAAKDM4EHPGDGLA
SCHEMBL10164134 0.82 GABRA1 (0.42) LRRK2CA1CA2MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106431969-B A kind of method for preparing 2- methyl -4- formaldoxime yl benzoic acid methyl esters 荆门医药工业技术研究院 2018-07-06 CN claimed
CN-106431969-A Method for preparing 2-methyl-4-formaldoxime methyl benzoate 荆门医药工业技术研究院 2017-02-22 CN claimed
WO-2025262433-A1 N-CYANOPYRROLIDINES WITH ACTIVITY AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2025-12-26 WO disclosed
US-20250346575-A1 ISOINDOLINONE DERIVATIVE HAVING GLUTARIMIDE MOTHER NUCLEUS, AND USE THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2025-11-13 US disclosed
EP-4617270-A1 ISOINDOLINONE DERIVATIVE HAVING QUINOLINE AMIDE STRUCTURE, AND USE THEREOF Oncord Bio Inc (KR) 2025-09-17 EP disclosed
EP-4617264-A1 ISOINDOLINONE DERIVATIVE HAVING ARYLCYCLOALKYLAMIDE STRUCTURE, AND USE THEREOF Oncord Bio Inc (KR) 2025-09-17 EP disclosed
US-20250214960-A1 COMPOUNDS HAVING ACTIVITY OF DEGRADING GSPT1 AND APPLICATION THEREOF SHANGHAI BIOPARTNERSX CO., LTD. (CN) 2025-07-03 US disclosed
CN-120157628-A N-cyclobutyl substituted benzamide isoxazoline compound and preparation method and application thereof 华南农业大学 2025-06-17 CN disclosed
CN-120152966-A Isoindolinone derivative with quinolinamide structure and application thereof 昂科德生物株式会社 2025-06-13 CN disclosed
EP-3233842-B1 BICYCLOHETEROARYL-HETEROARYL-BENZOIC ACID COMPOUNDS AS RETINOIC ACID RECEPTOR BETA (RARB) AGONISTS KING S COLLEGE LONDON (GB) 2025-03-26 EP disclosed
EP-4431505-A1 ISOINDOLINONE DERIVATIVE HAVING GLUTARIMIDE MOTHER NUCLEUS, AND USE THEREOF Korea Research Institute of Chemical Technology (KR) 2024-09-18 EP disclosed
US-20030212094-A1 Novel cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2003-11-13 US disclosed
EP-1277754-A1 IMIDAZOPYRIDINE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-01-22 EP disclosed
EP-1260512-A1 NOVEL CYCLIC AMIDE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2002-11-27 EP disclosed
US-20020151549-A1 Such as 3-(6-bromo-2-methylimidazo(1,2-a)pyridin-3-yl)-1H-pyrazol-1-yl 2-methyl-5-nitrophenyl sulfone; useful as phosphatidylinositol-3-kinase (PI3K) inhibitors and antitumor agents ASTELLAS PHARMA INC. (JP) 2002-10-17 US disclosed
US-6403588-B1 PHOSPHATIDYLINOSITOL 3 KINASE (PI3K) INHIBITING ACTIVITY WHICH ARE USEFUL AS MEDICAMENTS, MORE PARTICULARLY AS ANTITUMOR AGENT YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2002-06-11 US disclosed
EP-0685478-B1 QUINOLINE DERIVATIVES UBE INDUSTRIES (JP) 2001-10-24 EP disclosed
US-5591752-A LEUKOTRIENE ANTAGONIST, ANTIALLERGEN, ANTIINFLAMMATORY AGENT, DIBENZ(B,E)OXEPINE UBE INDUSTRIES, LTD. (JP) 1997-01-07 US disclosed
EP-0685478-A1 QUINOLINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 1995-12-06 EP disclosed
US-5324839-A Hypotensive agents, gastrointestinal and urogenital disorders ROUSSEL-UCLAF (FR) 1994-06-28 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 (4 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-20020151549-A1 Such as 3-(6-bromo-2-methylimidazo(1,2-a)pyridin-3-yl)-1H-pyrazol-1-yl 2-methyl-5-nitrophenyl sulfone; useful as phosphatidylinositol-3-kinase (PI3K) inhibitors and antitumor agents MTMR1, PIK3CA, PIK3CD LRRK2 1781/4885ALDH1A1 2851/4885GAA 2304/4885
US-20030212094-A1 Novel cyclic amide derivatives SIGMAR1, OPRM1, OPRD1 LRRK2 1879/4885ALDH1A1 690/4885GAA 4185/4885
US-20250214960-A1 COMPOUNDS HAVING ACTIVITY OF DEGRADING GSPT1 AND APPLICATION THEREOF GSPT1, GSS, GSAP LRRK2 2467/4885ALDH1A1 2329/4885GAA 6/4885
US-20250346575-A1 ISOINDOLINONE DERIVATIVE HAVING GLUTARIMIDE MOTHER NUCLEUS, AND USE THEREOF CRBN, IDH1, IDH2 LRRK2 705/4885ALDH1A1 849/4885GAA 3347/4885

“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.