SCHEMBL4874993

SCHEMBL4874993

Nc1ccc(CCc2csc(NC(=O)c3ccccc3)n2)cc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 7/20 0.74
KDM4E B2RXH2 2/20 0.59
PDE5A O76074 2/20 0.59
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
SCD O00767 5/20 0.53
CDK5 Q00535 1/20 0.52
CDK5R1 Q15078 1/20 0.52
MAOB P27338 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PDE1A P54750 1/20 0.50
PDE1B Q01064 1/20 0.50
PDE1C Q14123 1/20 0.50

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
SCHEMBL27782868 0.91 AOC3 (0.74) AOC3KDM4EPDE5ANPC1RAB9A
SCHEMBL13679462 0.85 AOC3 (0.70) AOC3KDM4EPDE5ANPC1RAB9A
Hydrochloric Acid SCHEMBL4875657 0.84 AOC3 (0.71) AOC3KDM4EPDE5ANPC1RAB9A
SCHEMBL3934166 0.82 AOC3 (0.85) AOC3MAOBSMN1; SMN2
SCHEMBL4874675 0.82 AOC3 (0.63) AOC3KDM4EPDE5ANPC1RAB9A
SCHEMBL4873462 0.81 AOC3 (0.55) AOC3NPC1RAB9AMAOBSMN1; SMN2
Carbamic Acid SCHEMBL4874681 0.81 AOC3 (0.67) AOC3KDM4EPDE5ASCDCDK5
SCHEMBL2227204 0.80 KDM4E (0.69) AOC3KDM4EPDE5ANPC1RAB9A
SCHEMBL4876641 0.79 AOC3 (0.73) AOC3MAOB
SCHEMBL5717620 0.78 KDM4E (0.74) AOC3KDM4EPDE5ANPC1RAB9A

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 14 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
EP-1608309-A2 10,10-DIALKYL PROSTANOIC ACID DERIVATIVES AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE Allergan, Inc. (US) 2005-12-28 EP disclosed
EP-1587800-A1 THIAZOLE DERIVATIVES AND THEIR USE AS VAP-1 INHIBITORS Astellas Pharma Inc. (JP) 2005-10-26 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-2004071428-A2 10,10-DIALKYL PROSTANOIC ACID DERIVATIVES AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. (US) 2004-08-26 WO disclosed
WO-2004067521-A1 THIAZOLE DERIVATIVES AND THEIR USE AS VAP-1 INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-08-12 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 (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 202/4885KDM4E 3439/4885PDE5A 1085/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885KDM4E 3386/4885PDE5A 2518/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 AOC3 85/4885KDM4E 2818/4885PDE5A 1503/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885KDM4E 3386/4885PDE5A 2518/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB AOC3 590/4885KDM4E 4108/4885PDE5A 3931/4885

“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.