SCHEMBL1329588

SCHEMBL1329588

N#Cc1cc(-c2cc(C(=O)O)ccn2)ccc1-n1cccn1.[NaH]

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 5/20 0.49
KDM5A P29375 2/20 0.49
KDM2B Q8NHM5 2/20 0.49
KDM5B Q9UGL1 2/20 0.49
XDH P47989 1/20 0.48
KMO O15229 1/20 0.45
KDM4E B2RXH2 1/20 0.40
KDM6B O15054 1/20 0.40
KDM4A O75164 1/20 0.40
KDM5C P41229 1/20 0.40
KDM2A Q9Y2K7 1/20 0.40
KDM3A Q9Y4C1 1/20 0.40
GRM5 P41594 2/20 0.40
LMNA P02545 1/20 0.40
JMJD6 Q6NYC1 1/20 0.40

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
SCHEMBL1331155 0.99 KDM4C (0.50) KDM4CKDM5AKDM2BKDM5BXDH
SCHEMBL1329586 0.88 KDM4C (0.40) KDM4CKDM5AKDM2BKDM5BXDH
SCHEMBL1330081 0.86 JMJD6 (0.46) KDM4CKDM5AKDM2BKDM5BXDH
SCHEMBL1331290 0.84 XDH (0.52) KDM4CXDHKMOKDM4EKDM6B
SCHEMBL3382954 0.80 LDHA (0.47) KDM4CXDHKMOKDM4EKDM6B
SCHEMBL13123328 0.79 XDH (0.49) KDM4CKDM5AKDM2BKDM5BXDH
SCHEMBL1331087 0.79 XDH (0.51) KDM4CKDM5AKDM2BKDM5BXDH
SCHEMBL1330399 0.79 XDH (0.51) KDM4CKDM5AKDM2BKDM5BXDH
SCHEMBL3451829 0.79 XDH (0.51) KDM4CKDM5AKDM2BKDM5BXDH
Hydrochloric Acid SCHEMBL1331923 0.78 XDH (0.50) KDM4CKDM5AKDM2BKDM5BXDH

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 10 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
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 KDM4C 4654/4885KDM5A 4346/4885KDM2B 4464/4885
US-20090018104-A1 Triarylcarboxylic Acid Derivative XDH, NLRP3, UACA KDM4C 3563/4885KDM5A 2450/4885KDM2B 1855/4885
US-20110281919-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER XDH, PEPD, HPN KDM4C 4654/4885KDM5A 4346/4885KDM2B 4464/4885

“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.