SCHEMBL2890944

SCHEMBL2890944

Nc1ccc(OCCCC2CCNC2)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 1/20 0.40
ITGB3 P05106 3/20 0.40
ITGA2B P08514 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 3/20 0.38
CYP3A4 P08684 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX15 P16050 1/20 0.38
HPGD P15428 2/20 0.37
TSHR P16473 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
PRKCZ Q05513 1/20 0.35

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
SCHEMBL2890073 0.83 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3ITGB3ITGA2B
SCHEMBL11545117 0.78 MAPT (0.60) MAPTALDH1A1LMNATDP1CYP3A4
SCHEMBL11548169 0.78 MAPT (0.60) MAPTALDH1A1LMNATDP1CYP3A4
SCHEMBL11549858 0.77 MAPT (0.59) MAPTALDH1A1LMNATDP1CYP3A4
SCHEMBL11550814 0.77 MAPT (0.59) MAPTALDH1A1LMNATDP1CYP3A4
SCHEMBL11545962 0.77 MAPT (0.59) MAPTALDH1A1LMNATDP1CYP3A4
SCHEMBL11420051 0.77 MAPT (0.62) MAPTALDH1A1LMNATDP1CYP3A4
SCHEMBL11718730 0.76 NR4A1 (0.42) SLC6A2SLC6A4SLC6A3ITGB3ITGA2B
SCHEMBL3982731 0.76 MAPT (0.43) MAPTALDH1A1LMNATDP1MEN1
SCHEMBL11716570 0.76 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3ITGB3ITGA2B

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 25 patents — showing the first 20. 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
US-20070299039-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase CHIRON CORPORATION (US) 2007-12-27 US disclosed
EP-1497287-A4 QUINOLINONE DERIVATIVES NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-07-11 EP disclosed
EP-1699421-A2 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES Chiron Corporation (US) 2006-09-13 EP disclosed
EP-1675584-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2006-07-05 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
EP-1401831-A1 INDAZOLE BENZIMIDAZOLE COMPOUNDS AS TYROSINE AND SERINE/THREONINE KINASE INHIBITORS CHIRON CORPORATION (US) 2004-03-31 EP disclosed
WO-2003087095-A1 QUINOLINONE DERIVATIVES CHIRON CORPORATION (US) 2003-10-23 WO disclosed
WO-2003082272-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS CHIRON CORPORATION (US) 2003-10-09 WO disclosed
EP-1317442-A1 QUINOLINONE DERIVATIVES AS TYROSINE KINASE INHIBITORS CHIRON CORPORATION (US) 2003-06-11 EP disclosed
EP-1313734-A2 AZA HETEROCYCLIC DERIVATIVES AND THEIR THERAPEUTIC USE CHIRON CORPORATION (US) 2003-05-28 EP disclosed
WO-2003004488-A1 INDAZOLE BENZIMIDAZOLE COMPOUNDS AS TYROSINE AND SERINE/THREONINE KINASE INHIBITORS CHIRON CORPORATION (US) 2003-01-16 WO disclosed
WO-2002022598-A1 QUINOLINONE DERIVATIVES AS TYROSINE KINASE INHIBITORS CHIRON CORPORATION (US) 2002-03-21 WO disclosed
WO-2002018383-A2 AZA HETEROCYCLIC DERIVATIVES AND THEIR THERAPEUTIC USE CHIRON CORPORATION (US) 2002-03-07 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 (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 3948/4885SLC6A2 4724/4885SLC6A4 4418/4885
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF MAPT 3981/4885SLC6A2 4754/4885SLC6A4 4415/4885
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF MAPT 3948/4885SLC6A2 4724/4885SLC6A4 4418/4885
US-20100196368-A1 SUBSTITUTED BENZ-AZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF MAPT 3981/4885SLC6A2 4754/4885SLC6A4 4415/4885
US-20070299039-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF MAPT 3981/4885SLC6A2 4754/4885SLC6A4 4415/4885

“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.