SCHEMBL944347

SCHEMBL944347

NC(=O)c1ccncc1Oc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.65
KDM4C Q9H3R0 3/20 0.53
ICAM1 P05362 1/20 0.50
SELE P16581 1/20 0.50
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PTGS1 P23219 4/20 0.48
PTGS2 P35354 3/20 0.48
PARP10 Q53GL7 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
SIRT3 Q9NTG7 1/20 0.45
KDM4E B2RXH2 2/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.44
BRD4 O60885 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MKNK1 Q9BUB5 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL742273 0.87 CTNNB1 (0.65) CTNNB1KDM4CICAM1SELEALDH1A1
SCHEMBL238351 0.87 KDM4C (0.59) CTNNB1KDM4CALDH1A1MAPK1HSD17B10
SCHEMBL29131592 0.83 ALDH1A1 (0.49) CTNNB1ALDH1A1PTGS1PTGS2TDP1
SCHEMBL30602953 0.83 ALDH1A1 (0.49) CTNNB1ALDH1A1PTGS1PTGS2TDP1
SCHEMBL23012320 0.81 TDP1 (0.55) KDM4CALDH1A1MAPK1HSD17B10PTGS1
SCHEMBL17397069 0.80 CTNNB1 (0.74) CTNNB1KDM4CALDH1A1MAPK1HSD17B10
SCHEMBL30298696 0.80 ICAM1 (0.59) ICAM1SELEALDH1A1KDM4ESMN1; SMN2
SCHEMBL30341576 0.80 ICAM1 (0.59) ICAM1SELEALDH1A1KDM4ESMN1; SMN2
SCHEMBL1702138 0.79 CTNNB1 (0.68) CTNNB1ALDH1A1MAPK1HSD17B10TDP1
SCHEMBL30060692 0.79 CTNNB1 (0.68) CTNNB1ALDH1A1MAPK1HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009437-A1 CARBOXAMIDE-HETEROARYL DERIVATIVES FOR THE TREATMENT OF DIABETES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-01-13 US claimed
US-9695162-B2 Sweet flavor modifier SENOMYX, INC. (US) 2017-07-04 US disclosed
US-20170029416-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. 2017-02-02 US disclosed
US-20110009437-A1 CARBOXAMIDE-HETEROARYL DERIVATIVES FOR THE TREATMENT OF DIABETES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-01-13 US disclosed
EP-0447004-A2 Herbicidal carboxamide derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-09-18 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 (2 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-20110009437-A1 CARBOXAMIDE-HETEROARYL DERIVATIVES FOR THE TREATMENT OF DIABETES GLS, GCKR, HK1 CTNNB1 3140/4885KDM4C 1815/4885ICAM1 3675/4885
US-20170029416-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 CTNNB1 4789/4885KDM4C 1407/4885ICAM1 3579/4885

“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.