SCHEMBL4286738

SCHEMBL4286738

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

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 18/20 0.75
MAOB P27338 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.53

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
SCHEMBL972537 0.87 AOC3 (0.78) AOC3MAOBSMN1; SMN2NPC1RAB9A
SCHEMBL974395 0.86 AOC3 (0.69) AOC3MAOBSMN1; SMN2NPC1RAB9A
SCHEMBL972734 0.86 AOC3 (0.85) AOC3MAOBSMN1; SMN2KMT2A
SCHEMBL3934166 0.86 AOC3 (0.85) AOC3MAOBSMN1; SMN2KMT2A
SCHEMBL972163 0.86 AOC3 (1.00) AOC3MAOBSMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL973847 0.85 AOC3 (0.67) AOC3MAOBSMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL4874764 0.85 AOC3 (0.97) AOC3MAOBSMN1; SMN2KMT2A
SCHEMBL4875383 0.84 AOC3 (0.67) AOC3MAOBSMN1; SMN2NPC1RAB9A
SCHEMBL975119 0.84 AOC3 (0.78) AOC3MAOBSMN1; SMN2KMT2A
SCHEMBL27626594 0.84 AOC3 (0.78) AOC3MAOBSMN1; SMN2KMT2A

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 21 patents — showing the first 20. 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 claimed
US-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 US claimed
US-20060229346-A1 Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-10-12 US claimed
EP-1608365-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE Sucampo AG (CH) 2005-12-28 EP claimed
WO-2004087138-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2004-10-14 WO claimed
US-20140170160-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH ANGIOGENESIS USING A VASCULAR ADHESION PROTEIN-1 (VAP-1) INHIBITOR MASSACHUSETTS EYE & EAR INFIRMARY (US) 2014-06-19 US disclosed
EP-1608365-B1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE R TECH UENO LTD (JP) 2013-10-02 EP disclosed
US-20120276111-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH ANGIOGENESIS USING A VASCULAR ADHESION PROTEIN-1 (VAP-1) INHIBITOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-11-01 US disclosed
US-20090170770-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH ANGIOGENESIS USING A VASCULAR ADHESION PROTEIN-1 (VAP 1) INHIBITOR NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-07-02 US disclosed
US-7442715-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2008-10-28 US 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-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
US-20060128770-A1 Thiazole derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-06-15 US disclosed
EP-1608365-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE Sucampo AG (CH) 2005-12-28 EP disclosed
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-12-23 US disclosed
WO-2004087138-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2004-10-14 WO 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 (9 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-20140170160-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH ANGIOGENESIS USING A VASCULAR ADHESION PROTEIN-1 (VAP-1) INHIBITOR VCAM1, VAPB, VAPA AOC3 348/4885MAOB 1629/4885SMN1; SMN2 3046/4885
US-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE VCAM1, ICAM1, VAPB AOC3 202/4885MAOB 923/4885SMN1; SMN2 3771/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885MAOB 4191/4885SMN1; SMN2 966/4885
US-20120276111-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH ANGIOGENESIS USING A VASCULAR ADHESION PROTEIN-1 (VAP-1) INHIBITOR VCAM1, VAPB, VAPA AOC3 348/4885MAOB 1629/4885SMN1; SMN2 3046/4885
US-20070208068-A1 Aqueous Composition Comprising Thiazole Derivative SLC5A1, SLC5A2, SLC10A1 AOC3 3576/4885MAOB 3792/4885SMN1; SMN2 1861/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 AOC3 85/4885MAOB 1422/4885SMN1; SMN2 3587/4885
US-20090170770-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH ANGIOGENESIS USING A VASCULAR ADHESION PROTEIN-1 (VAP 1) INHIBITOR VCAM1, VAPB, FLT1 AOC3 402/4885MAOB 1593/4885SMN1; SMN2 3051/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885MAOB 4191/4885SMN1; SMN2 966/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB AOC3 590/4885MAOB 4111/4885SMN1; SMN2 1570/4885

“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.