SCHEMBL2893340

SCHEMBL2893340

CNc1cc(OC)c(O)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.45
ABCB1 P08183 6/20 0.45
ABCC1 P33527 6/20 0.45
HTT P42858 1/20 0.43
CHEK1 O14757 1/20 0.43
MAPT P10636 5/20 0.42
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
SNCA P37840 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
PRKDC P78527 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
TPMT P51580 1/20 0.41

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
SCHEMBL9395834 0.86 ALDH1A1 (0.54) HCAR3HTTMAPTALDH1A1KMT2A
SCHEMBL1401369 0.83 ALDH1A1 (0.53) HTTCHEK1MAPTALDH1A1SNCA
SCHEMBL4103613 0.81 ALDH1A1 (0.48) HTTCHEK1MAPTALDH1A1SNCA
SCHEMBL10463060 0.81 TSHR (0.44) HCAR3ABCB1ABCC1HTTCHEK1
SCHEMBL23291672 0.81 MAPT (0.44) HCAR3ABCB1ABCC1HTTMAPT
SCHEMBL17261901 0.81 HTT (0.50) HCAR3HTTMAPTALDH1A1KMT2A
SCHEMBL29392110 0.81 HTT (0.50) HCAR3HTTMAPTALDH1A1KMT2A
SCHEMBL2243236 0.80 CHEK1 (0.47) HCAR3HTTCHEK1MAPTALDH1A1
SCHEMBL1724987 0.80 HCAR3 (0.52) HCAR3HTTMAPTALDH1A1KMT2A
SCHEMBL21816628 0.79 HCAR3 (0.48) HCAR3HTTMAPTALDH1A1KMT2A

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-4749379-A HAIR DYES L'OREAL (FR) 1988-06-07 US claimed
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-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
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
US-4904276-A Nitroaminophenols, the process for preparation thereof and their use in dyeing keratinous fibres, and new intermediate nitroaminobenzenes and their use in dyeing keratinous fibres L'OREAL (FR) 1990-02-27 US disclosed
US-4749379-A HAIR DYES L'OREAL (FR) 1988-06-07 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 (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 HCAR3 3234/4885ABCB1 1131/4885ABCC1 1462/4885
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF HCAR3 3586/4885ABCB1 1265/4885ABCC1 1742/4885
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF HCAR3 3234/4885ABCB1 1131/4885ABCC1 1462/4885
US-20100196368-A1 SUBSTITUTED BENZ-AZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF HCAR3 3586/4885ABCB1 1265/4885ABCC1 1742/4885
US-20070299039-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF HCAR3 3586/4885ABCB1 1265/4885ABCC1 1742/4885

“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.