SCHEMBL972734

SCHEMBL972734

CC(=O)Nc1nc(CCc2ccc(CN)cc2)cs1

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 18/20 0.85
MAOB P27338 3/20 0.72
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL3939152 0.92 AOC3 (0.73) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL972163 0.92 AOC3 (1.00) AOC3MAOBKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL4874764 0.91 AOC3 (0.97) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL972875 0.90 AOC3 (0.71) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL3935659 0.90 AOC3 (0.85) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL3934166 0.89 AOC3 (0.85) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL975119 0.88 AOC3 (0.78) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL972537 0.88 AOC3 (0.78) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL27626594 0.88 AOC3 (0.78) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL971466 0.88 AOC3 (0.78) AOC3MAOBKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2650287-B9 Thiazole Derivative and use thereof as VAP-1 Inhibitor R TECH UENO LTD (JP) 2015-08-05 EP disclosed
EP-2676955-B1 Thiazole Derivative and use thereof as VAP-1 Inhibitor R TECH UENO LTD (JP) 2015-03-11 EP disclosed
EP-2650287-B1 Thiazole Derivative and use thereof as VAP-1 Inhibitor R TECH UENO LTD (JP) 2014-12-03 EP disclosed
EP-2252604-B1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R TECH UENO LTD (JP) 2014-01-08 EP disclosed
EP-2676955-A1 Thiazole Derivative and use thereof as VAP-1 Inhibitor R-Tech Ueno, Ltd. (JP) 2013-12-25 EP disclosed
EP-2650287-A1 Thiazole Derivative and use thereof as VAP-1 Inhibitor R-Tech Ueno, Ltd. (JP) 2013-10-16 EP disclosed
EP-1608365-B1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE R TECH UENO LTD (JP) 2013-10-02 EP disclosed
EP-2639229-A2 Thiazole Derivative and use thereof as VAP-1 Inhibitor R-Tech Ueno, Ltd. (JP) 2013-09-18 EP disclosed
US-8507690-B2 Thiazole derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2013-08-13 US disclosed
US-8507690-B2 Thiazole derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2013-08-13 US disclosed
US-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 US disclosed
US-20070208068-A1 Aqueous Composition Comprising Thiazole Derivative R-TECH UENO, LTD. & ASTELLAS PHARMA INC. 2007-09-06 US disclosed
US-20070208068-A1 Aqueous Composition Comprising Thiazole Derivative R-TECH UENO, LTD. & ASTELLAS PHARMA INC. 2007-09-06 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
CN-1794988-A Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-06-28 CN 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 (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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE VCAM1, ICAM1, VAPB AOC3 202/4885MAOB 923/4885KMT2A 4255/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885MAOB 4191/4885KMT2A 4395/4885
US-20070208068-A1 Aqueous Composition Comprising Thiazole Derivative SLC5A1, SLC5A2, SLC10A1 AOC3 3576/4885MAOB 3792/4885KMT2A 3446/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 AOC3 85/4885MAOB 1422/4885KMT2A 3324/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885MAOB 4191/4885KMT2A 4395/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB AOC3 590/4885MAOB 4111/4885KMT2A 4570/4885

“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.