SCHEMBL1879807

SCHEMBL1879807

O=C(c1cccc([N+](=O)[O-])c1)N1CCCC1

nearest known ligand 0.91

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.91
KDM4E B2RXH2 1/20 0.76
LMNA P02545 4/20 0.68
KMT2A Q03164 3/20 0.67
CA12 O43570 1/20 0.67
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
CA7 P43166 1/20 0.67
CA9 Q16790 1/20 0.67
CA14 Q9ULX7 1/20 0.67
ALDH1A1 P00352 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
HTT P42858 1/20 0.66
MGLL Q99685 1/20 0.62
HSD11B1 P28845 1/20 0.62
MEN1 O00255 1/20 0.61
GPR55 Q9Y2T6 1/20 0.61
MAPT P10636 1/20 0.60
MAPK1 P28482 1/20 0.60

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
SCHEMBL3086635 0.88 RXFP1 (0.81) RXFP1KDM4ELMNAKMT2ACA12
SCHEMBL4040436 0.88 RXFP1 (0.85) RXFP1KDM4ELMNAKMT2ACA12
SCHEMBL16207564 0.87 RXFP1 (0.74) RXFP1KDM4ELMNAKMT2ACA12
SCHEMBL530767 0.87 RXFP1 (0.79) RXFP1KDM4ELMNAKMT2ACA12
SCHEMBL3093675 0.87 RXFP1 (0.79) RXFP1KDM4ELMNAKMT2ACA12
SCHEMBL15271998 0.87 RXFP1 (0.74) RXFP1KDM4ELMNAKMT2ACA12
SCHEMBL15272028 0.87 RXFP1 (0.74) RXFP1KDM4ELMNAKMT2ACA12
SCHEMBL520435 0.87 KDM4E (1.00) RXFP1KDM4ELMNAKMT2ACA12
SCHEMBL30568796 0.87 KDM4E (1.00) RXFP1KDM4ELMNAKMT2ACA12
SCHEMBL3093683 0.85 RXFP1 (0.77) RXFP1KDM4ELMNAKMT2ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9597333-B2 Benzazepine dicarboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2017-03-21 US disclosed
US-9597333-B2 Benzazepine dicarboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2017-03-21 US disclosed
US-9475775-B2 Benzazepine dicarboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2016-10-25 US disclosed
US-9475775-B2 Benzazepine dicarboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2016-10-25 US disclosed
US-7935819-B2 Cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2011-05-03 US disclosed
US-7935819-B2 Cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2011-05-03 US disclosed
US-20090082379-A1 Novel Cyclic Urea Derivatives, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2009-03-26 US disclosed
US-20090082379-A1 Novel Cyclic Urea Derivatives, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2009-03-26 US disclosed
EP-1979339-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2008-10-15 EP disclosed
WO-2007083017-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2007-07-26 WO disclosed
WO-2007083017-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2007-07-26 WO disclosed
EP-0596406-B1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 1998-12-16 EP disclosed
US-5750699-A HALOGENATING OF CORRESPONDING COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
US-5574042-A ANTAGONIST FOR BRADYKININS AS ANTIALLERGENS, AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS, SHOCK OR PAIN FUJISAWA PHARMACEUTICAL CO., LTD (JP) 1996-11-12 US disclosed
EP-0596406-A1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-11 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 (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-20090082379-A1 Novel Cyclic Urea Derivatives, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors PRKAR2B, CDK1, PRKX RXFP1 714/4885KDM4E 1711/4885LMNA 2504/4885

“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.