SCHEMBL5352781

SCHEMBL5352781

CCOC(=O)C1=C(C)NC(=O)NC1c1cccc(Br)c1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.77
ALDH1A1 P00352 1/20 0.64
GAA P10253 2/20 0.61
ADORA2B P29275 3/20 0.61
MAPK1 P28482 3/20 0.61
HSD17B10 Q99714 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
PKM P14618 1/20 0.59
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL5352815 0.92 KIF11 (0.65) KIF11ALDH1A1ADORA2BHSD17B10PKM
SCHEMBL10113145 0.89 HSD17B10 (0.67) KIF11ADORA2BHSD17B10PKM
SCHEMBL5337520 0.89 MAPT (0.66) KIF11ADORA2BPKM
SCHEMBL31705192 0.88 KIF11 (0.80) KIF11ALDH1A1GAAADORA2BMAPK1
SCHEMBL5340534 0.88 KIF11 (0.80) KIF11ALDH1A1GAAADORA2BMAPK1
SCHEMBL10144746 0.87 POLB (0.61) KIF11ALDH1A1PKMSMN1; SMN2
SCHEMBL5341216 0.87 KIF11 (1.00) KIF11ALDH1A1GAAADORA2BMAPK1
SCHEMBL5340507 0.86 KIF11 (0.58) KIF11ALDH1A1GAAL3MBTL1SMN1; SMN2
SCHEMBL5343438 0.86 POLB (0.63) KIF11PKMSMN1; SMN2
SCHEMBL14413847 0.86 KIF11 (0.77) KIF11ALDH1A1GAAADORA2BMAPK1

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-20150376224-A1 USE OF COMPOSITIONS OBTAINED BY CALCINING PARTICULAR METAL-ACCUMULATING PLANTS FOR IMPLEMENTING CATALYTICAL REACTIONS UNIVERSITE MONTPELLIER 2 SCIENCES ET TECHNIQUES (FR) 2015-12-31 US disclosed
US-20150376224-A1 USE OF COMPOSITIONS OBTAINED BY CALCINING PARTICULAR METAL-ACCUMULATING PLANTS FOR IMPLEMENTING CATALYTICAL REACTIONS UNIVERSITE MONTPELLIER 2 SCIENCES ET TECHNIQUES (FR) 2015-12-31 US disclosed
WO-2014128283-A1 USE OF COMPOSITIONS OBTAINED BY CALCINING PARTICULAR METAL-ACCUMULATING PLANTS FOR IMPLEMENTING CATALYTICAL REACTIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-08-28 WO disclosed
EP-2769765-A1 Use of compositions obtained by calcing particular metal-accumulating plants for implementing catalytical reactions Centre National De La Recherche Scientifique (FR) 2014-08-27 EP disclosed
WO-2007101213-A2 NOVEL 2-OXO-1,2,3,4-TETRAHYDROPYRIMIDINES, BICYCLIC PYRIMIDINE DIONES AND IMIDAZOLIDINE-2,4-DIONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2007-09-07 WO 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 (1 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-20150376224-A1 USE OF COMPOSITIONS OBTAINED BY CALCINING PARTICULAR METAL-ACCUMULATING PLANTS FOR IMPLEMENTING CATALYTICAL REACTIONS CACYBP, PPA1, IPMK KIF11 4655/4885ALDH1A1 3184/4885GAA 75/4885

“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.