SCHEMBL1330628

SCHEMBL1330628

N#Cc1ccc(OCc2ccccc2)c(C#N)c1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.62
XDH P47989 2/20 0.55
MRGPRX4 Q96LA9 3/20 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
SCHEMBL18284404 0.84 MAOB (0.52) MAOBXDH
SCHEMBL5696916 0.84 MAOB (0.56) MAOBXDHMRGPRX4
SCHEMBL6431004 0.83 MAOB (0.58) MAOBXDHMRGPRX4
SCHEMBL1980141 0.83 MAOB (0.58) MAOBMRGPRX4
SCHEMBL1060980 0.83 MAOB (0.58) MAOBMRGPRX4
SCHEMBL214965 0.83 MAOB (0.58) MAOBXDHMRGPRX4
SCHEMBL3382509 0.83 MAOB (0.60) MAOBXDH
SCHEMBL8807037 0.83 MAOB (0.60) MAOBXDH
SCHEMBL7129137 0.83 MAOB (0.58) MAOBMRGPRX4
SCHEMBL6215963 0.83 MAOB (0.60) MAOBXDHMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426453-B2 Treatment of a stomach or small intestine ulcer with 2-(3-cyano-4-isobutyloxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid ASTELLAS PHARMA INC. (JP) 2013-04-23 US disclosed
CN-101389352-B Agent for treating or preventing digestive ulcer ASTELLAS PHARMA INC 2012-09-19 CN disclosed
EP-1992361-B1 Remedy or preventive for digestive ulcer ASTELLAS PHARMA INC (JP) 2012-05-02 EP disclosed
US-8067446-B2 Methods for treating an ulcer of the small intestine and stomach ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-20110281919-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER ASTELLAS PHARMA INC. (JP) 2011-11-17 US disclosed
EP-1932832-B1 TRIARYLCARBOXYLIC ACID DERIVATIVE ASTELLAS PHARMA INC (JP) 2010-12-01 EP disclosed
US-7816558-B2 Triarylcarboxylic acid derivative ASTELLAS PHARMA INC. (JP) 2010-10-19 US disclosed
CN-101389352-A Agent for treating or preventing digestive ulcer ASTELLAS PHARMA INC (JP) 2009-03-18 CN disclosed
US-20090036428-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER ASTELLAS PHARMA INC. (JP) 2009-02-05 US disclosed
US-20090018104-A1 Triarylcarboxylic Acid Derivative ASTELLAS PHARMA INC. (JP) 2009-01-15 US disclosed
EP-1992361-A1 REMEDY OR PREVENTIVE FOR DIGESTIVE ULCER Astellas Pharma Inc. (JP) 2008-11-19 EP disclosed
CN-101282934-A Triarylcarboxylic acid derivatives ASTELLAS PHARMA INC (JP) 2008-10-08 CN disclosed
EP-1932832-A1 TRIARYLCARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2008-06-18 EP 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 (3 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-20090036428-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER XDH, PEPD, HPN MAOB 350/4885XDH 1/4885MRGPRX4 612/4885
US-20090018104-A1 Triarylcarboxylic Acid Derivative XDH, NLRP3, UACA MAOB 268/4885XDH 1/4885MRGPRX4 1451/4885
US-20110281919-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER XDH, PEPD, HPN MAOB 350/4885XDH 1/4885MRGPRX4 612/4885

“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.