SCHEMBL194929

SCHEMBL194929

O=[C]c1csc2ccncc12

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.47
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.30
CYP19A1 P11511 1/20 0.30

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
SCHEMBL27002528 0.81 CYP2A6 (0.50) CYP2A6ALDH1A1SMN1; SMN2NCOA3
SCHEMBL96527 0.72 CYP2A6 (0.48) CYP2A6ALDH1A1RAB9ASMN1; SMN2
SCHEMBL30940059 0.72 CYP2A6 (0.53) CYP2A6ALDH1A1RAB9ASMN1; SMN2NCOA3
SCHEMBL3962397 0.72 CYP2A6 (0.53) CYP2A6ALDH1A1RAB9ASMN1; SMN2NCOA3
SCHEMBL31167180 0.71 CYP2A6 (0.56) CYP2A6ALDH1A1
SCHEMBL1006461 0.71 CYP2A6 (0.56) CYP2A6ALDH1A1
SCHEMBL14438020 0.71 CYP2A6 (0.51) CYP2A6ALDH1A1RAB9ASMN1; SMN2CYP19A1
SCHEMBL28913407 0.71 CYP2A6 (0.51) CYP2A6ALDH1A1RAB9ASMN1; SMN2NCOA3
SCHEMBL194930 0.70 CYP2A6 (0.56) CYP2A6ALDH1A1RAB9ASMN1; SMN2NCOA3
SCHEMBL10285458 0.70 CYP2A6 (0.47) CYP2A6ALDH1A1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143246-A1 LIQUID PREPARATIONS OF AMINES AND ORGANIC ACIDS STABILIZED BY SALTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-05-11 US disclosed
US-20230088365-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-03-23 US disclosed
EP-3929187-A2 PROCESS FOR PRODUCING PYRROLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2021-12-29 EP disclosed
US-20210070705-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-11 US disclosed
US-10844011-B2 Process for producing pyrrole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-11-24 US disclosed
EP-2963019-B1 METHOD FOR PRODUCING PYRIDINE-3-SULFONYL CHLORIDE TAKEDA PHARMACEUTICALS CO (JP) 2020-08-12 EP disclosed
US-20200115336-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-04-16 US disclosed
EP-3613734-A2 PROCESS FOR PRODUCING PYRROLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-02-26 EP disclosed
EP-3241826-B1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-10-30 EP disclosed
US-10370357-B2 Method for producing sulfonyl chloride compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-06 US disclosed
US-20070293532-A1 Pyrrolo [2,3-C] Pyridine Compound, Process for Producing the Same, and Use TAKEDA PHARMACEUTICAL COMPAN6Y LIMITED (JP) 2007-12-20 US disclosed
EP-1803709-A1 PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2007-07-04 EP disclosed
EP-1787991-A1 PYRROLOÝ2,3-c¨PYRIDINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2007-05-23 EP disclosed
US-20070060623-A1 antiulcer agents; proton pump inhibitors; side effect reduction; 1-[4-fluoro-5-phenyl-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine; superior acid secretion inhibitory effect; peptic ulcer, Zollinger-Ellison syndrome, reflux esophagitis, or symptomatic gastroesophageal reflux disease TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-15 US disclosed
US-6294536-B1 CONTROL OF PROTOZOA AND REDUCTION IN THE INCIDENCE OF ASSOCIATED DISEASES AND DEATH AND CONSEQUENT IMPROVEMENT IN RETARDED GROWTH AND GENERAL CONDITION AND PREVENTING DECREASE GROWTH AND GENERAL CONDITION TAKEDA SCHERING-PLOUGH ANIMAL HEALTH K.K. (JP) 2001-09-25 US disclosed
WO-1999011634-A1 TRIAZINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-11 WO disclosed
WO-1997011075-A1 TRIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-03-27 WO disclosed
EP-0305939-B1 Process of producing sulfonylurea derivatives TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-11-02 EP disclosed
US-4994571-A Reacting heterocycle-containing sulfonamide compound with carbonyl compound TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-02-19 US disclosed
EP-0305939-A1 Process of producing sulfonylurea derivatives Takeda Chemical Industries, Ltd. (JP) 1989-03-08 EP 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-20210070705-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD CYP2A6 46/4885ALDH1A1 1184/4885RAB9A 1700/4885
US-20200115336-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD CYP2A6 46/4885ALDH1A1 1184/4885RAB9A 1700/4885
US-10370357-B2 Method for producing sulfonyl chloride compound P2RY4, P2RY6, P2RX4 CYP2A6 70/4885ALDH1A1 2395/4885RAB9A 3035/4885
US-20070060623-A1 antiulcer agents; proton pump inhibitors; side effect reduction; 1-[4-fluoro-5-phenyl-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine; superior acid secretion inhibitory effect; peptic ulcer, Zollinger-Ellison syndrome, reflux esophagitis, or symptomatic gastroesophageal reflux disease HRH2, GIPR, HRH4 CYP2A6 1525/4885ALDH1A1 1043/4885RAB9A 824/4885
US-20230088365-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD CYP2A6 46/4885ALDH1A1 1184/4885RAB9A 1700/4885
US-10844011-B2 Process for producing pyrrole compound DHPS, STS, HPD CYP2A6 46/4885ALDH1A1 1184/4885RAB9A 1700/4885
US-20230143246-A1 LIQUID PREPARATIONS OF AMINES AND ORGANIC ACIDS STABILIZED BY SALTS OTC, SLC38A7, SRI CYP2A6 406/4885ALDH1A1 795/4885RAB9A 2206/4885
US-20070293532-A1 Pyrrolo [2,3-C] Pyridine Compound, Process for Producing the Same, and Use PGA5, ATP6AP1, PPA1 CYP2A6 256/4885ALDH1A1 1988/4885RAB9A 977/4885

“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.