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SCHEMBL1435646

SCHEMBL1435646

CNc1ccc(Oc2ccnc(C(=O)OC(C)(C)C)c2)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 1/20 0.43
▸ HTT P42858 1/20 0.41
▸ MAPT P10636 4/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ RAF1 P04049 2/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ KDR P35968 2/20 0.38
▸ BRAF P15056 2/20 0.38
▸ CDC25B P30305 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ABL1 P00519 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37

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
SCHEMBL2898020 0.87 KMT2A (0.46) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL14565871 0.86 MAPT (0.45) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL2886701 0.85 HCAR3 (0.53) HCAR3HTTMAPTNPC1RAB9A
SCHEMBL4323736 0.85 PDGFRA (0.39) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL2886711 0.85 MAPT (0.40) HTTMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL4330384 0.84 HCAR3 (0.46) HCAR3HTTMAPTNPC1RAB9A
SCHEMBL1217486 0.84 KDR (0.54) HCAR3RAF1EPHX2KDRBRAF
SCHEMBL13788580 0.84 GCK (0.43) HCAR3HTTMAPTNPC1RAB9A
SCHEMBL2892416 0.83 RAF1 (0.45) HCAR3HTTMAPTNPC1RAB9A
SCHEMBL2892341 0.82 RAF1 (0.42) RAF1EPHX2KDRBRAFABL1

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 82 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-8592459-B2 Substituted benzimidazoles and methods of their use NOVARTIS AG (CH) 2013-11-26 — — US disclosed
US-8501785-B2 Salts of benzimidazolyl pyridyl ethers and formulations thereof NOVARTIS AG (CH) 2013-08-06 — — US disclosed
US-8501785-B2 Salts of benzimidazolyl pyridyl ethers and formulations thereof NOVARTIS AG (CH) 2013-08-06 — — US disclosed
US-8455662-B2 Formulations for benzimidazolyl pyridyl ethers NOVARTIS AG (CH) 2013-06-04 — — US disclosed
US-8455662-B2 Formulations for benzimidazolyl pyridyl ethers NOVARTIS AG (CH) 2013-06-04 — — US disclosed
US-20120308651-A1 SALTS OF BENZIMIDAZOLYL PYRIDYL ETHERS AND FORMULATIONS THEREOF NOVARTIS AG 2012-12-06 — — US disclosed
US-20120308651-A1 SALTS OF BENZIMIDAZOLYL PYRIDYL ETHERS AND FORMULATIONS THEREOF NOVARTIS AG 2012-12-06 — — US disclosed
US-8324389-B2 Solid forms of a Raf kinase inhibitor NOVARTIS AG (CH) 2012-12-04 — — US disclosed
US-8324389-B2 Solid forms of a Raf kinase inhibitor NOVARTIS AG (CH) 2012-12-04 — — US disclosed
US-20070049622-A1 Substituted benzimidazoles and methods of preparation NOVARTIS AG 2007-03-01 — — US disclosed
US-20070049622-A1 Substituted benzimidazoles and methods of preparation NOVARTIS AG 2007-03-01 — — US disclosed
US-20070049622-A1 Substituted benzimidazoles and methods of preparation NOVARTIS AG 2007-03-01 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20070049622-A1 Substituted benzimidazoles and methods of preparation ABL1, CDK2, KIT HCAR3 2950/4885HTT 4745/4885MAPT 4422/4885
US-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF HCAR3 3234/4885HTT 4527/4885MAPT 3948/4885
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF HCAR3 3586/4885HTT 4400/4885MAPT 3981/4885
US-20120308651-A1 SALTS OF BENZIMIDAZOLYL PYRIDYL ETHERS AND FORMULATIONS THEREOF PIR, BRD8, PHOSPHO1 HCAR3 4778/4885HTT 2225/4885MAPT 482/4885

“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.