Sugi Predict

Sugi Predict / Compounds / SCHEMBL2923713

SCHEMBL2923713

SCHEMBL2923713

CNc1cc2c(cc1[N+](=O)[O-])OCO2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.57
▸ KMT2A Q03164 5/20 0.57
▸ L3MBTL1 Q9Y468 4/20 0.57
▸ MEN1 O00255 4/20 0.57
▸ POLB P06746 2/20 0.57
▸ MCL1 Q07820 1/20 0.57
▸ ALDH1A1 P00352 8/20 0.50
▸ TDP1 Q9NUW8 3/20 0.50
▸ SRC P12931 1/20 0.48
▸ GAA P10253 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ TXNRD1 Q16881 1/20 0.46
▸ TXNRD3 Q86VQ6 1/20 0.46
▸ TXNRD2 Q9NNW7 1/20 0.46
▸ HCAR3 P49019 1/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43

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
SCHEMBL13497817 0.82 MAPT (0.53) MAPTKMT2AL3MBTL1MEN1POLB
SCHEMBL718255 0.81 MAPT (0.74) MAPTKMT2AL3MBTL1MEN1POLB
SCHEMBL2245461 0.81 KMT2A (0.51) MAPTKMT2AL3MBTL1MEN1POLB
SCHEMBL30860742 0.81 MAPT (0.51) MAPTKMT2AL3MBTL1MEN1POLB
SCHEMBL10463187 0.77 MAPT (0.52) MAPTKMT2AL3MBTL1MEN1POLB
SCHEMBL10981845 0.77 HCAR3 (0.55) MAPTKMT2APOLBALDH1A1TDP1
SCHEMBL23493171 0.77 CYP1A2 (0.47) MAPTKMT2AL3MBTL1MEN1POLB
SCHEMBL1028694 0.77 MAPT (0.62) MAPTKMT2AL3MBTL1MEN1POLB
SCHEMBL7671343 0.76 MAPT (0.50) MAPTKMT2AL3MBTL1MEN1POLB
SCHEMBL7669945 0.76 MAPT (0.55) MAPTKMT2AL3MBTL1MEN1POLB

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 16 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
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 MAPT 3948/4885KMT2A 1400/4885L3MBTL1 1929/4885
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF MAPT 3981/4885KMT2A 1162/4885L3MBTL1 2178/4885
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF MAPT 3948/4885KMT2A 1400/4885L3MBTL1 1929/4885
US-20100196368-A1 SUBSTITUTED BENZ-AZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF MAPT 3981/4885KMT2A 1162/4885L3MBTL1 2178/4885
US-20070299039-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF MAPT 3981/4885KMT2A 1162/4885L3MBTL1 2178/4885

“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.