SCHEMBL433883

SCHEMBL433883

Cc1cccc2ccc(=O)[nH]c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.60
CA9 Q16790 5/20 0.60
DAO P14920 2/20 0.53
DDO Q99489 1/20 0.53
CYP1A2 P05177 1/20 0.47
CA1 P00915 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
KDM4E B2RXH2 5/20 0.46
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 2/20 0.41
NSD2 O96028 1/20 0.41
KMT2A Q03164 1/20 0.40
HCAR1 Q9BXC0 2/20 0.40

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
SCHEMBL30063823 1.00 CA12 (0.60) CA12CA9DAODDOCYP1A2
SCHEMBL12569582 0.77 CA12 (0.47) CA12CA9DAOCA1CA3
SCHEMBL16050842 0.77 CA12 (0.62) CA12CA9CYP1A2CA1CA3
SCHEMBL8919065 0.76 CA12 (0.56) CA12CA9DAODDOCA1
SCHEMBL3784446 0.75 CA12 (0.55) CA12CA9CA1CA3CA4
SCHEMBL19751458 0.75 CA12 (0.60) CA12CA9DAODDOCA1
SCHEMBL29385308 0.75 CA12 (0.60) CA12CA9DAODDOCYP1A2
SCHEMBL3137037 0.75 CA12 (1.00) CA12CA9DAOCA1CA3
SCHEMBL3224071 0.75 CA12 (0.60) CA12CA9CYP1A2CA1CA3
SCHEMBL4178782 0.75 CA12 (1.00) CA12CA9DAODDOCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1004205-B Process for preparing quinolone cardiotonic excitant 菲泽有限公司 1989-05-17 CN claimed
CN-86108133-A CARBOSTYRIL CARDIOTONIC EXCITANT 1987-09-09 CN claimed
US-20240343709-A1 SUBSTITUTED HETEROCYCLES AS ALDEHYDE DEHYDROGENASE INHIBITORS THE TRUSTEES OF PRINCETON UNIVERSITY 2024-10-17 US disclosed
US-20240327354-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT PASTEUR DE LILLE (FR) 2024-10-03 US disclosed
US-12054475-B2 Substituted heterocycles as aldehyde dehydrogenase inhibitors KAYOTHERA INC. (US) 2024-08-06 US disclosed
US-20240132469-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KAYOTHERA INC. (US) 2024-04-25 US disclosed
CN-117897370-A Heterocyclic compounds and their use 凯悦施那有限公司 2024-04-16 CN disclosed
EP-4326696-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Kayothera Inc. (US) 2024-02-28 EP disclosed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 US disclosed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 US disclosed
WO-2023002011-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2023-01-26 WO disclosed
US-20050239825-A1 Modulation of inflammatory and metastatic processes CHIRON CORPORATION 2005-10-27 US disclosed
US-20050209247-A1 Lactate salt of 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one; improved water solubility and physicochemical properties (e.g., stability, hygroscopicity, crystallinity, and compactibility); vascular endothelial growth factor receptor tyrosine kinase inhibitors CHIRON CORPORATION 2005-09-22 US disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 US disclosed
EP-0524846-A1 2-(Piperidin-1-yl)ethanol derivatives, their preparation and their use in therapeutics SYNTHELABO (FR) 1993-01-27 EP disclosed
CN-1004205-B Process for preparing quinolone cardiotonic excitant 菲泽有限公司 1989-05-17 CN disclosed
CN-85104392-B Quinolone inotropic agents 辉瑞公司 1988-02-17 CN disclosed
CN-86108133-A CARBOSTYRIL CARDIOTONIC EXCITANT 1987-09-09 CN disclosed
CN-85104392-A The preparation method of quinolone inotropic agents 1986-12-24 CN disclosed
US-3956420-A CPOLYOLEFIN COMPOSITION FOR ELECTRICAL INSULATIONFERROCENE, 8-SUBSTITUTED QUINOLINE DAINICHI-NIPPON CABLES, LTD. (JA) 1976-05-11 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 (8 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-20240343709-A1 SUBSTITUTED HETEROCYCLES AS ALDEHYDE DEHYDROGENASE INHIBITORS ALDH3A1, ALDH2, ALDH1A2 CA12 1645/4885CA9 579/4885DAO 782/4885
US-12054475-B2 Substituted heterocycles as aldehyde dehydrogenase inhibitors ALDH3A1, ALDH2, ALDH1A2 CA12 1645/4885CA9 579/4885DAO 782/4885
US-20240327354-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS ABCB11, ABCB1, ATP4B CA12 4622/4885CA9 2996/4885DAO 2240/4885
US-20240132469-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP11B2, ALDH2, PDK1 CA12 1172/4885CA9 475/4885DAO 1343/4885
US-20050239825-A1 Modulation of inflammatory and metastatic processes VCAM1, EPCAM, ICAM1 CA12 268/4885CA9 777/4885DAO 3484/4885
US-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 CA12 4124/4885CA9 3747/4885DAO 2672/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CA12 3651/4885CA9 1880/4885DAO 3260/4885
US-20050209247-A1 Lactate salt of 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one; improved water solubility and physicochemical properties (e.g., stability, hygroscopicity, crystallinity, and compactibility); vascular endothelial growth factor receptor tyrosine kinase inhibitors KDR, FLT4, FLT1 CA12 166/4885CA9 149/4885DAO 1470/4885

“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.