SCHEMBL2104782

SCHEMBL2104782

CC(C)Oc1ccc(-c2n[nH]c(=O)o2)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 19/20 0.63
CYP1A2 P05177 1/20 0.52
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL4720418 0.80 NOTUM (0.60) NOTUMCYP1A2KDM4EALDH1A1GLA
SCHEMBL5757848 0.78 NOTUM (1.00) NOTUMCYP1A2
SCHEMBL31028720 0.77 NOTUM (0.74) NOTUMCYP1A2
SCHEMBL14531216 0.76 KMO (0.52)
SCHEMBL18394490 0.76 NOTUM (0.72) NOTUM
SCHEMBL182023 0.75 NOTUM (1.00) NOTUM
SCHEMBL2123523 0.74 S1PR1 (0.57) NOTUM
SCHEMBL12896228 0.73 NOTUM (0.66) NOTUMKDM4EALDH1A1GLAHSD17B10
SCHEMBL2124854 0.73 S1PR1 (0.50)
SCHEMBL2126187 0.73 S1PR1 (0.50) NOTUMKDM4EHSD17B10

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772507-B2 Imidazole-benzamide anti-cancer agents CYTOKINETICS, INC. (US) 2014-07-08 US disclosed
US-8772507-B2 Imidazole-benzamide anti-cancer agents CYTOKINETICS, INC. (US) 2014-07-08 US disclosed
US-8772507-B2 Imidazole-benzamide anti-cancer agents CYTOKINETICS, INC. (US) 2014-07-08 US disclosed
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS QIAN XIANGPING (US) 2013-04-18 US disclosed
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS QIAN XIANGPING (US) 2013-04-18 US disclosed
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS QIAN XIANGPING (US) 2013-04-18 US disclosed
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-11-08 US disclosed
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-11-08 US disclosed
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-11-08 US disclosed
US-8207340-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-06-26 US disclosed
US-20080255182-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-10-16 US disclosed
US-20080255182-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-10-16 US disclosed
EP-1951719-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-08-06 EP disclosed
US-20070197481-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-08-23 US disclosed
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 US disclosed
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 US disclosed
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 US disclosed
WO-2007056469-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO disclosed
WO-2007056469-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO disclosed
US-20060247289-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2006-11-02 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 (6 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-20060247289-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 NOTUM 3426/4885CYP1A2 4665/4885KDM4E 3267/4885
US-20080255182-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 NOTUM 3426/4885CYP1A2 4665/4885KDM4E 3267/4885
US-20120283287-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 NOTUM 3426/4885CYP1A2 4665/4885KDM4E 3267/4885
US-20130096315-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS KIF5B, KIF2C, PLK1 NOTUM 3264/4885CYP1A2 4636/4885KDM4E 3116/4885
US-20070197481-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 NOTUM 3426/4885CYP1A2 4665/4885KDM4E 3267/4885
US-20070149516-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 NOTUM 3426/4885CYP1A2 4665/4885KDM4E 3267/4885

“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.