SCHEMBL2590450

SCHEMBL2590450

c1nc(-c2nnco2)no1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 14/20 0.42
PPARA Q07869 1/20 0.37
TSHR P16473 1/20 0.36
MAPT P10636 2/20 0.34
TLR8 Q9NR97 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL12469961 0.89 PPARA (0.48) NOTUMPPARATSHR
SCHEMBL28394924 0.73 NOTUM (0.50) NOTUMTSHRTLR8KDM4E
SCHEMBL12906161 0.72 NOTUM (0.59) NOTUMTSHRMAPTTLR8KDM4E
SCHEMBL5507183 0.70 PPARA (0.40) PPARA
SCHEMBL8742299 0.70 PPARA (0.40) PPARA
SCHEMBL28379479 0.67 NOTUM (0.39) NOTUMTSHRMAPTTLR8KDM4E
SCHEMBL6306433 0.67 NOTUM (0.39) NOTUMTSHRMAPTTLR8ALDH1A1
SCHEMBL25144989 0.65 NOTUM (0.44) NOTUMTSHRMAPTKDM4EALDH1A1
SCHEMBL8426897 0.65 PPARA (0.40) PPARA
SCHEMBL24922497 0.64 TSHR (0.40) NOTUMTSHRMAPTKDM4EALDH1A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407098-B1 3-(CARBOXIMINO)-1,4,2-OXATHIAZINE DERIVATIVES; PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-06-18 US claimed
EP-0645378-B1 Condensed seven- or eight-membered heterocyclic compounds useful as squalene synthetase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-08-23 EP claimed
US-20230331734-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-10-19 US disclosed
US-11377450-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-07-05 US disclosed
US-20210115060-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARM INC (US) 2021-04-22 US disclosed
EP-2797941-A1 PREPARATION OF HETEROLEPTIC METAL COMPLEXES Solvay SA (BE) 2014-11-05 EP disclosed
EP-1511724-B1 Process for the preparation of thioalkylamine derivatives BAYER CROPSCIENCE AG (DE) 2014-04-30 EP disclosed
WO-2013098189-A1 PREPARATION OF HETEROLEPTIC METAL COMPLEXES SOLVAY SA (BE) 2013-07-04 WO disclosed
WO-2011135276-A1 3, 3 -DISUBSTITUTED- ( 8 - AZA - BICYCLO [3.2.1] OCT- 8 - YL) -[5- (1H - PYRAZOL - 4 -YL) -THIOPHEN-3 -YL] METHANONES AS INHIBITORS OF 11 (BETA) -HSD1 THE UNIVERSITY OF EDINBURGH (GB) 2011-11-03 WO disclosed
US-20070232538-A1 Uses of polypeptides TAKEDA PHARMACEUTICAL COMPANY, LTD (JP) 2007-10-04 US disclosed
US-6160072-A Process for polymerizing tactioselective polyolefins in condensed phase using titanocenes MONTELL TECHNOLOGY COMPANY BV (NL) 2000-12-12 US disclosed
EP-0842163-B1 BENZENE DERIVATIVES WITH A HETEROCYCLIC GROUP BASF AG (DE) 1999-11-03 EP disclosed
US-5739166-A ALKYLSULFONYL OR AMINOSULFONYL SUBSTITUTED AROMATIC COMPOUNDS AS NON-STEROIDAL ANTIINFLAMMATORY AGENT G.D. SEARLE & CO. (US) 1998-04-14 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-11377450-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF NOTUM 3255/4885PPARA 1956/4885TSHR 3380/4885
US-20230331734-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, PKD1, ACE2 NOTUM 175/4885PPARA 1272/4885TSHR 4021/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR NOTUM 4517/4885PPARA 2460/4885TSHR 52/4885
US-20210115060-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF NOTUM 3255/4885PPARA 1956/4885TSHR 3380/4885

“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.