SCHEMBL4875662

SCHEMBL4875662

CC(=O)Nc1nc(CCc2ccc(N)cc2)c(Cc2ccccc2)s1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 14/20 0.76
XIAP P98170 5/20 0.50
TSHR P16473 1/20 0.48

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
SCHEMBL27626556 0.88 AOC3 (0.60) AOC3XIAP
SCHEMBL9458112 0.87 AOC3 (0.58) AOC3XIAPTSHR
SCHEMBL3931455 0.87 AOC3 (0.77) AOC3
SCHEMBL4874878 0.87 AOC3 (0.77) AOC3XIAP
SCHEMBL3935407 0.87 AOC3 (0.77) AOC3
SCHEMBL14019537 0.86 AOC3 (0.72) AOC3XIAPTSHR
SCHEMBL4870605 0.86 AOC3 (0.58) AOC3XIAP
Hydrochloric Acid SCHEMBL4875479 0.85 AOC3 (0.72) AOC3XIAPTSHR
SCHEMBL3932628 0.85 AOC3 (0.79) AOC3
SCHEMBL3933885 0.84 AOC3 (0.78) 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 10 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
CN-100491361-C Thiazole derivatives and their use as VAP-1 inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 2009-05-27 CN disclosed
US-7442715-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2008-10-28 US disclosed
US-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 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-20060229346-A1 Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-10-12 US disclosed
US-20060128770-A1 Thiazole derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-06-15 US disclosed
CN-1761655-A Thiazole derivatives and their use as VAP-1 inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 2006-04-19 CN 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 (5 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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE VCAM1, ICAM1, VAPB AOC3 202/4885XIAP 903/4885TSHR 4019/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885XIAP 2297/4885TSHR 501/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 AOC3 85/4885XIAP 2213/4885TSHR 2931/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885XIAP 2297/4885TSHR 501/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB AOC3 590/4885XIAP 306/4885TSHR 3848/4885

“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.