SCHEMBL330093

SCHEMBL330093

COC(=O)c1ccc2c(c1)CNC2

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA12 O43570 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
XDH P47989 1/20 0.50
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
MAPT P10636 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL30043640 1.00 CA1 (0.50) CA1CA2CA12CA7CA9
Hydrochloric Acid SCHEMBL1263024 0.98 CA1 (0.49) CA1CA2CA12CA7CA9
Hydrochloric Acid SCHEMBL30278515 0.98 CA1 (0.49) CA1CA2CA12CA7CA9
Trifluoroacetic Acid SCHEMBL383551 0.89 NOTUM (0.47) CA1CA2CA12CA7CA9
SCHEMBL1035136 0.87 ASIC3 (0.47) CA1CA2CA12CA7CA9
SCHEMBL308122 0.87 MELK (0.52)
SCHEMBL30745003 0.87 MELK (0.52)
SCHEMBL29784680 0.87 ASIC3 (0.47) CA1CA2CA12CA7CA9
Hydrochloric Acid SCHEMBL1017102 0.85 MELK (0.51)
Hydrochloric Acid SCHEMBL1264208 0.85 F2 (0.46) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805163-B1 1,1A,5,5A-TETRAHYDRO-3-THIA-CYCLOPROPA[A]PENTALENES: TRICYCLIC THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-01 EP claimed
CN-122036587-A Zalutst compound and application thereof in inhibiting MLL1-WDR5 interaction 暨南大学 2026-05-15 CN disclosed
US-12552758-B2 Inhibitors of MLH1 and/or PMS2 for cancer treatment Neophore Limited (GB) 2026-02-17 US disclosed
US-20240293392-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2024-09-05 US disclosed
EP-4387603-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF Enanta Pharmaceuticals, Inc. (US) 2024-06-26 EP disclosed
EP-4373819-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2024-05-29 EP disclosed
CN-117693507-A Inhibitor compounds 奈奥芬莱有限公司 2024-03-12 CN disclosed
CN-111315735-B Dihydrobenzimidazolone C4医药公司 2024-03-08 CN disclosed
US-20230391772-A1 METHODS AND COMPOSITIONS FOR TARGETED PROTEIN DEGRADATION RANOK THERAPEUTICS (HANGZHOU) CO. LTD. (CN) 2023-12-07 US disclosed
US-11827629-B2 CDGSH iron sulfur domain 2 activators and use thereof NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2023-11-28 US disclosed
CN-1889970-A Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of HCV replication INTERMUNE INC (US) 2007-01-03 CN disclosed
WO-2006117669-A1 AMIDE RESORCINOL COMPOUNDS PFIZER INC. (US) 2006-11-09 WO disclosed
EP-1680137-A2 MACROCYCLIC CARBOXYLIC ACIDS AND ACYLSULFONAMIDES AS INHIBITORS OF HCV REPLICATION Intermune, Inc. (US) 2006-07-19 EP disclosed
WO-2006058993-A1 ARYLPIPERAZINE DERIVATIVES AND THEIR USE AS LIGANDS SELECTIVE OF THE DOPAMINE D3 RECEPTOR BIOPROJET (FR) 2006-06-08 WO disclosed
US-20050267018-A1 Macrocyclic compounds as inhibitors of viral replication HOFFMANN-LA ROCHE INC. 2005-12-01 US disclosed
WO-2005095403-A2 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. (US) 2005-10-13 WO disclosed
WO-2005095403-A2 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. (US) 2005-10-13 WO disclosed
US-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 US disclosed
WO-2005037214-A2 MACROCYCLIC CARBOXYLIC ACIDS AND ACYLSULFONAMIDES AS INHIBITORS OF HCV REPLICATION INTERMUNE, INC. (US) 2005-04-28 WO disclosed
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO 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-12552758-B2 Inhibitors of MLH1 and/or PMS2 for cancer treatment MSH2, PMS2, MSH6 CA1 2823/4885CA2 2256/4885CA12 2951/4885
US-20240293392-A1 INHIBITOR COMPOUNDS MSH2, PMS2, MSH6 CA1 4011/4885CA2 3372/4885CA12 3528/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 CA1 4841/4885CA2 4757/4885CA12 4884/4885
US-20050267018-A1 Macrocyclic compounds as inhibitors of viral replication EIF2AK2, HAVCR2, ZC3HAV1 CA1 4845/4885CA2 4605/4885CA12 4519/4885
US-11827629-B2 CDGSH iron sulfur domain 2 activators and use thereof CISD2, CISD1, FECH CA1 4388/4885CA2 3302/4885CA12 4170/4885
US-20230391772-A1 METHODS AND COMPOSITIONS FOR TARGETED PROTEIN DEGRADATION PSMG3, PSMC2, PSMA6 CA1 3173/4885CA2 3442/4885CA12 2078/4885

“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.