SCHEMBL61459

SCHEMBL61459

Cc1ccc(N)cc1C#N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
KDM4E B2RXH2 7/20 0.57
USP2 O75604 1/20 0.57
CASP1 P29466 3/20 0.50
LMNA P02545 3/20 0.48
TSHR P16473 3/20 0.48
CYP3A4 P08684 3/20 0.46
MAPT P10636 5/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
PDE10A Q9Y233 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RECQL P46063 1/20 0.39
MDM4 O15151 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
SCHEMBL31184930 1.00 ALDH1A1 (0.57) ALDH1A1KDM4EUSP2CASP1LMNA
SCHEMBL31590689 0.82 ALDH1A1 (0.57) ALDH1A1KDM4EUSP2CASP1LMNA
SCHEMBL568981 0.82 ALDH1A1 (0.57) ALDH1A1KDM4EUSP2CASP1LMNA
Hydrochloric Acid SCHEMBL7288086 0.80 ALDH1A1 (0.55) ALDH1A1KDM4EUSP2CASP1LMNA
Bromide SCHEMBL27526906 0.80 ALDH1A1 (0.55) ALDH1A1KDM4EUSP2CASP1LMNA
SCHEMBL204121 0.78 KDM4E (0.69) ALDH1A1KDM4EUSP2LMNACYP3A4
SCHEMBL30839883 0.78 KDM4E (0.69) ALDH1A1KDM4EUSP2LMNACYP3A4
SCHEMBL2807960 0.77 ALDH1A1 (0.52) ALDH1A1KDM4EUSP2CASP1LMNA
SCHEMBL2808490 0.77 ALDH1A1 (0.52) ALDH1A1KDM4EUSP2CASP1LMNA
SCHEMBL18992027 0.77 ALDH1A1 (0.52) ALDH1A1KDM4EUSP2CASP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 EP claimed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US claimed
EP-2074089-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-07-01 EP claimed
WO-2008048991-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-04-24 WO claimed
EP-4673138-A1 NBD1 MODULATORS AND METHODS OF USING THE SAME Sionna Therapeutics Inc. (US) 2026-01-07 EP disclosed
US-20250388571-A1 AMP-ACTIVATED PROTEIN KINASE MODULATOR COMPOUNDS AND USES THEREOF BIOLEXIS THERAPEUTICS INC (US) 2025-12-25 US disclosed
EP-3947365-B1 SUBSTITUTED-N-HETEROARYL COMPOUNDS AND USES THEREOF BIONOMICS LTD (AU) 2025-10-01 EP disclosed
US-12391663-B2 Isoindolinone compounds MONTE ROSA THERAPEUTICS AG (CH) 2025-08-19 US disclosed
US-12358910-B2 Heteroaromatic compounds as Vanin inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-07-15 US disclosed
US-20250214963-A1 SULFONYL AMIDE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER INC. 2025-07-03 US disclosed
CN-116655497-B Amidine derivative compound and preparation method and application thereof 中国科学院上海药物研究所 2025-06-03 CN disclosed
CN-113166117-B Heteroaromatic compounds as VANIN inhibitors 勃林格殷格翰国际公司 2025-04-15 CN disclosed
EP-0594019-B1 1-Biphenylmethyl-pyridone derivatives, their preparation and their use as angiotensin II antagonistes BAYER AG (DE) 2000-02-23 EP disclosed
US-5863930-A ATHEROSCLEROSIS TREATMENT FORMED BY REACTION OF PYRIDONES WITH BIPHENYLMETHYL HALOGEN BAYER AKTIENGESELLSCHAFT (DE) 1999-01-26 US disclosed
CN-1040435-C Trisubstituted biphenyls BAYER AG (DE) 1998-10-28 CN disclosed
US-5596006-A ANTIHYPERTENSIVE, ANTIATHEROSCLEROTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1997-01-21 US disclosed
CN-1089260-A Trisubstituted biphenyls BAYER AG (DE) 1994-07-13 CN disclosed
EP-0594019-A1 Trisubstituted biphenyl as angiotensin II antagonistes BAYER AG (DE) 1994-04-27 EP disclosed
US-4179578-A Para-phenyl stilbene derivatives SANDOZ LTD. (CH) 1979-12-18 US disclosed
US-4032558-A PARA-PHENYL STILBENE DERIVATIVES SANDOZ LTD. (CH) 1977-06-28 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-20250214963-A1 SULFONYL AMIDE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH GPR119, INSR, LYAR ALDH1A1 1427/4885KDM4E 1694/4885USP2 3387/4885
US-12391663-B2 Isoindolinone compounds CYP4F2, AOC2, AOC3 ALDH1A1 1142/4885KDM4E 3666/4885USP2 1438/4885
US-20250388571-A1 AMP-ACTIVATED PROTEIN KINASE MODULATOR COMPOUNDS AND USES THEREOF PRKAB2, PRKAB1, PRKAR2B ALDH1A1 4339/4885KDM4E 2009/4885USP2 1660/4885
US-12358910-B2 Heteroaromatic compounds as Vanin inhibitors VHL, FANCI, PAH ALDH1A1 543/4885KDM4E 3614/4885USP2 3663/4885

“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.