SCHEMBL194366

SCHEMBL194366

O=[C]c1cc2sccc2cn1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.35
CHRNA7 P36544 1/20 0.34
CYP2A6 P11509 2/20 0.34
KDM1A O60341 1/20 0.32
DYRK1A Q13627 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GPR35 Q9HC97 1/20 0.31

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
SCHEMBL11724831 0.71 CYP2A6 (0.47) GRM4CHRNA7CYP2A6KDM1ADYRK1A
SCHEMBL17464091 0.71 KDM1A (0.37) GRM4CHRNA7CYP2A6KDM1ADYRK1A
SCHEMBL25822912 0.71 GRM4 (0.37) GRM4CHRNA7CYP2A6KDM1ADYRK1A
SCHEMBL27265241 0.71 CYP2A6 (0.37) GRM4CHRNA7CYP2A6KDM1ADYRK1A
SCHEMBL843122 0.69 CHRNA7 (0.47) CHRNA7ALDH1A1KDM4EGPR35
SCHEMBL1210907 0.68 CYP1A2 (0.48) CYP2A6KDM4E
SCHEMBL1208246 0.68 CHRNA7 (0.52) GRM4CHRNA7ALDH1A1
SCHEMBL97520 0.67 CYP2A6 (0.37) CHRNA7CYP2A6DYRK1A
SCHEMBL26781843 0.67 GRM4 (0.35) GRM4CHRNA7CYP2A6KDM1ADYRK1A
SCHEMBL27096937 0.67 GRM4 (0.37) GRM4CHRNA7CYP2A6KDM1ADYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5017212-A For rice paddies TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-05-21 US claimed
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
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-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
EP-0238070-B1 Sulfonylurea compounds, their production and herbicidal use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-12-29 EP disclosed
US-5017212-A For rice paddies TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-05-21 US 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
EP-0238070-A2 Sulfonylurea compounds, their production and herbicidal use Takeda Chemical Industries, Ltd. (JP) 1987-09-23 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 (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-20210070705-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD GRM4 1176/4885CHRNA7 4484/4885CYP2A6 46/4885
US-20200115336-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD GRM4 1176/4885CHRNA7 4484/4885CYP2A6 46/4885
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 GRM4 458/4885CHRNA7 2309/4885CYP2A6 1525/4885
US-20230088365-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND DHPS, STS, HPD GRM4 1176/4885CHRNA7 4484/4885CYP2A6 46/4885
US-10844011-B2 Process for producing pyrrole compound DHPS, STS, HPD GRM4 1176/4885CHRNA7 4484/4885CYP2A6 46/4885
US-20230143246-A1 LIQUID PREPARATIONS OF AMINES AND ORGANIC ACIDS STABILIZED BY SALTS OTC, SLC38A7, SRI GRM4 4349/4885CHRNA7 913/4885CYP2A6 406/4885

“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.