SCHEMBL2892379

SCHEMBL2892379

CN1CCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.55
SIRT6 Q8N6T7 3/20 0.55
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
LMNA P02545 3/20 0.51
MAPK1 P28482 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
HIF1A Q16665 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
USP2 O75604 1/20 0.49
S100A4 P26447 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL939398 0.87 ALDH1A1 (0.68) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL29847859 0.87 MAPT (0.56) MAPTSIRT6ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL16513957 0.87 MAPT (0.56) MAPTSIRT6ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL21031716 0.85 ALDH1A1 (0.67) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL22471527 0.84 MAPT (0.54) MAPTSIRT6ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL30464721 0.84 MAPT (0.54) MAPTSIRT6ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL29771872 0.83 SIRT6 (0.55) MAPTSIRT6ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL22471318 0.82 MAPT (0.55) MAPTSIRT6ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL22163868 0.81 MAPT (0.51) MAPTSIRT6ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL28848356 0.81 SIRT6 (0.53) MAPTSIRT6ALDH1A1SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614330-B2 Substituted benz-azoles and methods of their use as inhibitors of RAF kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2013-12-24 US disclosed
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS, INC. FORMERLY KNOWN AS CHIRON CORPORATION (US) 2012-11-15 US disclosed
US-8299108-B2 for treatment of hematological/hormone-dependent cancer NOVARTIS AG (CH) 2012-10-30 US disclosed
US-20100196368-A1 SUBSTITUTED BENZ-AZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-08-05 US disclosed
US-7728010-B2 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-06-01 US disclosed
EP-1499311-B1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-11-04 EP disclosed
CN-100515419-C Substituted benzazoles and its application as inhibitors of Raf kinase CHIRON CORP (US) 2009-07-22 CN disclosed
US-20070299039-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase CHIRON CORPORATION (US) 2007-12-27 US disclosed
CN-1913884-A Substituted benzazoles and methods of their use as inhibitors of RAF kinase CHIRON CORP (US) 2007-02-14 CN disclosed
EP-1675584-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2006-07-05 EP disclosed
US-7071216-B2 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase CHIRON CORPORATION (US) 2006-07-04 US disclosed
CN-1655779-A substituted indoles and their use as Raf kinase inhibitors CHIRON CORP (US) 2005-08-17 CN disclosed
WO-2005032548-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2005-04-14 WO disclosed
EP-1499311-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS Chiron Corporation (US) 2005-01-26 EP disclosed
US-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-06-24 US disclosed
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-05-06 US disclosed
WO-2003082272-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS CHIRON CORPORATION (US) 2003-10-09 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 (5 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-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF MAPT 3948/4885SIRT6 3252/4885ALDH1A1 1216/4885
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF MAPT 3981/4885SIRT6 3316/4885ALDH1A1 1008/4885
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF MAPT 3948/4885SIRT6 3252/4885ALDH1A1 1216/4885
US-20100196368-A1 SUBSTITUTED BENZ-AZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF MAPT 3981/4885SIRT6 3316/4885ALDH1A1 1008/4885
US-20070299039-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF MAPT 3981/4885SIRT6 3316/4885ALDH1A1 1008/4885

“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.