SCHEMBL7041085

SCHEMBL7041085

O=c1[nH]c(-c2ccc(Br)s2)nn1-c1cc(F)ccc1O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.36
GCGR P47871 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
SNCA P37840 1/20 0.36
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
AR P10275 1/20 0.31
F10 P00742 2/20 0.31
PBK Q96KB5 1/20 0.31
AMY1A P0DUB6 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
SCHEMBL7040511 0.88 SNCA (0.38) MAPK14SNCAPTGS1PTGS2F10
SCHEMBL7045380 0.86 SNCA (0.36) SNCAPTGS1PTGS2F10PBK
SCHEMBL7039913 0.86 CDK4 (0.33) PTGS1PTGS2F10AMY1A
SCHEMBL7043221 0.85 KMT2A (0.44) SNCAPTGS1PTGS2F10
SCHEMBL7042244 0.83 AMY1A (0.37) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL3757455 0.81 AKT2 (0.34) SNCAPTGS1PTGS2F10
SCHEMBL7043479 0.79 CNR1 (0.34) SNCAPTGS1PTGS2F10
SCHEMBL7041687 0.77 AKT2 (0.35) MAPK14PTGS1PTGS2F10
SCHEMBL7042374 0.76 CNR1 (0.35) SNCAF10AMY1A
SCHEMBL7042344 0.76 AMY1A (0.36) SNCAF10AMY1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613786-B2 Treating urinary incontinence, asthma, irritable bowel syndrome or male erectile dysfunction BRISTOL-MYERS SQUIBB COMPANY 2003-09-02 US claimed
US-20030144333-A1 Thiophenyl triazol-3-one derivatives as smooth muscle relaxants HEWAWASAM PIYASENA (US) 2003-07-31 US claimed
US-6613786-B2 Treating urinary incontinence, asthma, irritable bowel syndrome or male erectile dysfunction BRISTOL-MYERS SQUIBB COMPANY 2003-09-02 US disclosed
US-20030144333-A1 Thiophenyl triazol-3-one derivatives as smooth muscle relaxants HEWAWASAM PIYASENA (US) 2003-07-31 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 (1 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-20030144333-A1 Thiophenyl triazol-3-one derivatives as smooth muscle relaxants PDE3A, ADRB2, ADRB3 MAPK13 1381/4885GCGR 1040/4885MAPK12 2160/4885

“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.