SCHEMBL4873575

SCHEMBL4873575

CC(=O)Nc1nc(CCc2ccc(NC(NC(=O)O)NC(=O)O)cc2)c(C(=O)NCc2ccncc2)s1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.40
NAMPT P43490 3/20 0.38
KDR P35968 4/20 0.38
FLT1 P17948 2/20 0.38
AOC3 Q16853 2/20 0.38
CDC7 O00311 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
DBF4 Q9UBU7 1/20 0.37
TSHR P16473 1/20 0.37
CHRM4 P08173 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ACACB O00763 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36

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
SCHEMBL4992515 0.93 SCD (0.48) SCDAOC3CHRM4
SCHEMBL4876799 0.91 PPARA (0.47) SCDCHRM4
SCHEMBL4876994 0.90 ALDH1A1 (0.48) SCDAOC3CHRM4ACACB
SCHEMBL4873046 0.89 SCD (0.42) SCDKDRAOC3L3MBTL1GSK3A
SCHEMBL4874051 0.89 AOC3 (0.48) SCDNAMPTAOC3CHRM4
SCHEMBL4869384 0.88 PPARA (0.43) SCDAOC3ROCK1
SCHEMBL4875954 0.87 AOC3 (0.40) AOC3
SCHEMBL5670972 0.86 AOC3 (0.43) AOC3
SCHEMBL4876507 0.86 SCD (0.43) SCDAOC3L3MBTL1
SCHEMBL4875929 0.85 AOC3 (0.38) AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608365-B1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE R TECH UENO LTD (JP) 2013-10-02 EP disclosed
US-7442715-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2008-10-28 US disclosed
US-20060276521-A1 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-12-07 US disclosed
US-7125901-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-10-24 US disclosed
US-20060128770-A1 Thiazole derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-06-15 US disclosed
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-12-23 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 (3 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-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 SCD 2681/4885NAMPT 3060/4885KDR 233/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 SCD 2681/4885NAMPT 3060/4885KDR 233/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB SCD 1094/4885NAMPT 2145/4885KDR 622/4885

“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.