SCHEMBL12126173

SCHEMBL12126173

[C-]#[N+]c1cc(-c2nccc(C(=O)O)c2Cl)ccc1C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 6/20 0.41
▸ MCL1 Q07820 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ IL1B P01584 1/20 0.36
▸ KDM5A P29375 2/20 0.35
▸ KDM5B Q9UGL1 2/20 0.35
▸ KDM4A O75164 1/20 0.35
▸ PDK1 Q15118 1/20 0.35
▸ AKR1C2 P52895 1/20 0.35
▸ AKR1C1 Q04828 1/20 0.35
▸ CLCN2 P51788 1/20 0.34
▸ SORT1 Q99523 3/20 0.33
▸ XDH P47989 1/20 0.33
▸ SLC22A12 Q96S37 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33

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
SCHEMBL12126160 0.85 KDM4E (0.42) KMOMCL1KDM4EIL1BKDM5A
SCHEMBL12126164 0.75 KMO (0.45) KMOMCL1KDM4EAKR1C2AKR1C1
SCHEMBL13117990 0.73 KMO (0.55) KMOKDM4EKDM5AKDM5BKDM4A
SCHEMBL22245529 0.71 KDM4E (0.47) KMOKDM4EKDM5AKDM5BKDM4A
SCHEMBL12126161 0.70 KMO (0.45) KMOMCL1KDM4EXDHSLC22A12
SCHEMBL13118031 0.70 KDM4E (0.42) MCL1KDM4EKDM5AKDM5BKDM4A
SCHEMBL13108539 0.70 ALDH1A1 (0.41) KMOMCL1KDM4EKDM5AKDM5B
SCHEMBL13108529 0.68 CTRC (0.44) KMOMCL1KDM4E
SCHEMBL13118050 0.68 AKR1C2 (0.41) KDM4EKDM5AKDM5BAKR1C2AKR1C1
SCHEMBL13118020 0.67 HSD17B1 (0.43) KDM4E

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 6 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
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
US-7820700-B2 2-phenylpyridine derivative ASTELLAS PHARMA INC. (JP) 2010-10-26 — — US disclosed
US-20090036428-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER ASTELLAS PHARMA INC. (JP) 2009-02-05 — — US disclosed
US-20070275950-A1 2-Phenylpyridine Derivative ASTELLAS PHARMA INC. (JP) 2007-11-29 — — US 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-20070275950-A1 2-Phenylpyridine Derivative NLRP3, XDH, UACA KMO 620/4885MCL1 2860/4885KDM4E 739/4885
US-20090036428-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER XDH, PEPD, HPN KMO 1070/4885MCL1 4780/4885KDM4E 4662/4885
US-20110281919-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER XDH, PEPD, HPN KMO 1070/4885MCL1 4780/4885KDM4E 4662/4885

“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.

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