SCHEMBL12126160

SCHEMBL12126160

[C-]#[N+]c1cc(-c2nccc(C(=O)O)c2F)ccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.42
▸ ASPH Q12797 1/20 0.42
▸ KDM8 Q8N371 1/20 0.42
▸ KMO O15229 4/20 0.39
▸ MAP3K5 Q99683 1/20 0.38
▸ IL1B P01584 1/20 0.38
▸ MCL1 Q07820 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ DHODH Q02127 1/20 0.35
▸ LDHA P00338 1/20 0.35
▸ KDM5A P29375 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35
▸ ACMSD Q8TDX5 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ PDK1 Q15118 1/20 0.34
▸ NAPRT Q6XQN6 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL13118031 0.85 KDM4E (0.42) KDM4EASPHKDM8MAP3K5MCL1
SCHEMBL12126173 0.85 KMO (0.41) KDM4EKMOIL1BMCL1KDM5A
SCHEMBL13108539 0.84 ALDH1A1 (0.41) KDM4EASPHKDM8KMOMCL1
SCHEMBL13118050 0.82 AKR1C2 (0.41) KDM4EASPHKDM8MAP3K5DHODH
SCHEMBL13108535 0.80 KDM4E (0.38) KDM4EASPHKDM8KMOMAP3K5
SCHEMBL13108552 0.79 GAA (0.41) KDM4EASPHKDM8ALDH1A1NPC1
SCHEMBL13118051 0.78 AKR1C2 (0.42) DHODHKDM5AKDM4CKDM5B
SCHEMBL12126161 0.75 KMO (0.45) KDM4EASPHKDM8KMOMCL1
SCHEMBL22245628 0.73 KDM4E (0.56) KDM4EASPHKDM8TDP1DHODH
SCHEMBL26036572 0.73 KMO (0.62) KDM4EASPHKDM8KMOKDM5A

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 KDM4E 739/4885ASPH 2124/4885KDM8 881/4885
US-20090036428-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER XDH, PEPD, HPN KDM4E 4662/4885ASPH 1401/4885KDM8 2579/4885
US-20110281919-A1 AGENT FOR TREATING OR PREVENTING DIGESTIVE ULCER XDH, PEPD, HPN KDM4E 4662/4885ASPH 1401/4885KDM8 2579/4885

“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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