SCHEMBL1329694

SCHEMBL1329694

N#Cc1cc(-c2cc(C(=O)O)ccn2)ccc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.54
KMO O15229 1/20 0.52
KDM4C Q9H3R0 4/20 0.50
KDM4E B2RXH2 1/20 0.50
KDM6B O15054 1/20 0.50
KDM4A O75164 1/20 0.50
KDM5C P41229 1/20 0.50
KDM2A Q9Y2K7 1/20 0.50
KDM3A Q9Y4C1 1/20 0.50
ADORA1 P30542 1/20 0.45

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
SCHEMBL1329554 0.99 XDH (0.53) XDHKMOKDM4CKDM4EKDM6B
SCHEMBL4446735 0.99 XDH (0.53) XDHKMOKDM4CKDM4EKDM6B
SCHEMBL1331331 0.90 XDH (0.55) XDHKMOKDM4C
SCHEMBL3387162 0.90 KMO (0.56) XDHKMOKDM4C
SCHEMBL1329552 0.89 XDH (0.45) XDHKMOKDM4CKDM4AKDM5C
SCHEMBL3383379 0.87 XDH (0.55) XDHKMOKDM4CKDM4EKDM6B
SCHEMBL1330582 0.87 KDM4E (0.52) XDHKDM4CKDM4EKDM6BKDM5C
SCHEMBL10092841 0.85 XDH (0.57) XDHKMOKDM4CKDM4E
SCHEMBL1330401 0.84 XDH (0.50) XDHKMOKDM4CKDM4EKDM6B
SCHEMBL1331700 0.83 KDM4C (0.52) XDHKMOKDM4CKDM4EKDM6B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1992361-B1 Remedy or preventive for digestive ulcer ASTELLAS PHARMA INC (JP) 2012-05-02 EP claimed
US-8067446-B2 Methods for treating an ulcer of the small intestine and stomach ASTELLAS PHARMA INC. (JP) 2011-11-29 US claimed
EP-1932832-B1 TRIARYLCARBOXYLIC ACID DERIVATIVE ASTELLAS PHARMA INC (JP) 2010-12-01 EP claimed
US-7816558-B2 Triarylcarboxylic acid derivative ASTELLAS PHARMA INC. (JP) 2010-10-19 US claimed
US-20090036428-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER ASTELLAS PHARMA INC. (JP) 2009-02-05 US claimed
US-20090018104-A1 Triarylcarboxylic Acid Derivative ASTELLAS PHARMA INC. (JP) 2009-01-15 US claimed
EP-1992361-A1 REMEDY OR PREVENTIVE FOR DIGESTIVE ULCER Astellas Pharma Inc. (JP) 2008-11-19 EP claimed
EP-1932832-A1 TRIARYLCARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2008-06-18 EP claimed
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
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
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
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 XDH 1/4885KMO 1070/4885KDM4C 4654/4885
US-20090018104-A1 Triarylcarboxylic Acid Derivative XDH, NLRP3, UACA XDH 1/4885KMO 246/4885KDM4C 3563/4885
US-20110281919-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER XDH, PEPD, HPN XDH 1/4885KMO 1070/4885KDM4C 4654/4885

“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.