SCHEMBL7006722

SCHEMBL7006722

CC(C)(C)OC(=O)NCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.54
DRD2 P14416 4/20 0.50
AKT1 P31749 1/20 0.49
BRD4 O60885 1/20 0.48
TPSAB1 Q15661 1/20 0.47
TPSD1 Q9BZJ3 1/20 0.47
TPSG1 Q9NRR2 1/20 0.47
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
IDO1 P14902 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL20500894 0.92 MALT1 (0.51) MALT1DRD2AKT1BRD4TPSAB1
SCHEMBL25974776 0.92 MALT1 (0.52) MALT1DRD2BRD4TPSAB1TPSD1
SCHEMBL8139824 0.91 BRD4 (0.53) MALT1DRD2BRD4TPSAB1TPSD1
SCHEMBL9773851 0.89 TPSAB1 (0.54) MALT1DRD2BRD4TPSAB1TPSD1
SCHEMBL31655700 0.89 TPSAB1 (0.54) MALT1DRD2BRD4TPSAB1TPSD1
SCHEMBL22291518 0.89 TPSAB1 (0.54) MALT1DRD2BRD4TPSAB1TPSD1
SCHEMBL24796373 0.88 HEXA (0.58) BRD4
SCHEMBL4392860 0.88 MALT1 (0.49) MALT1DRD2BRD4TPSAB1TPSD1
SCHEMBL21997347 0.87 ALDH1A1 (0.55) MALT1AKT1PDCD1CD274
SCHEMBL30675910 0.87 BRD4 (0.51) MALT1DRD2BRD4TPSAB1TPSD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2799431-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM Corporation (JP) 2014-11-05 EP disclosed
US-20100069453-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2010-03-18 US disclosed
US-20080255182-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-10-16 US disclosed
WO-2007056469-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO disclosed
EP-0861243-B1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2003-11-12 EP disclosed
US-6344462-B1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-05 US disclosed
US-6100284-A ANTIALLERGENS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-08 US disclosed
US-6008229-A TREATING ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE, SHOCK, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed
EP-0861243-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-02 EP disclosed
WO-1997011069-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-27 WO disclosed
US-4385181-A CHAMICAL INTERMEDIATES FOR CEPHALOSPORINS RHONE POULENC INDUSTRIES (FR) 1983-05-24 US disclosed
US-4347359-A CEPHALOSPORIN INTERMEDIATES RHONE-POULENC INDUSTRIES (FR) 1982-08-31 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 (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-20100069453-A1 Certain Chemical Entities, Compositions, and Methods KIF5B, KIF2C, PLK1 MALT1 3821/4885DRD2 4544/4885AKT1 1836/4885
US-20080255182-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 MALT1 3821/4885DRD2 4544/4885AKT1 1836/4885

“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.