SCHEMBL1435170

SCHEMBL1435170

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 1/20 0.44
▸ HTT P42858 1/20 0.42
▸ RAB9A P51151 7/20 0.40
▸ SMN1; SMN2 Q16637 7/20 0.40
▸ NPC1 O15118 7/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ MAPT P10636 6/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ PKM P14618 2/20 0.40
▸ MAPK1 P28482 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CDC25B P30305 1/20 0.39

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
SCHEMBL13559522 0.83 HCAR3 (0.45) HCAR3HTTRAB9ASMN1; SMN2NPC1
SCHEMBL6522547 0.82 HCAR3 (0.57) HCAR3HTTRAB9ASMN1; SMN2NPC1
SCHEMBL4326964 0.81 HCAR3 (0.44) HCAR3HTTRAB9ASMN1; SMN2NPC1
SCHEMBL2886701 0.81 HCAR3 (0.53) HCAR3HTTRAB9ASMN1; SMN2NPC1
SCHEMBL27734810 0.81 ALDH1A1 (0.44) HCAR3HTTRAB9ASMN1; SMN2NPC1
SCHEMBL13210813 0.80 BRAF (0.47) HCAR3HTTRAB9ASMN1; SMN2NPC1
SCHEMBL1217486 0.80 KDR (0.54) HCAR3
SCHEMBL13788542 0.80 HTT (0.56) HCAR3HTTNPC1KMT2AMAPT
SCHEMBL4330384 0.80 HCAR3 (0.46) HCAR3HTTRAB9ASMN1; SMN2NPC1
SCHEMBL4326186 0.80 MAPT (0.49) HCAR3HTTRAB9ASMN1; SMN2NPC1

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 71 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-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-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-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 (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-20070049622-A1 Substituted benzimidazoles and methods of preparation ABL1, CDK2, KIT HCAR3 2950/4885HTT 4745/4885RAB9A 2326/4885
US-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF HCAR3 3234/4885HTT 4527/4885RAB9A 1662/4885
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF HCAR3 3586/4885HTT 4400/4885RAB9A 1810/4885
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF HCAR3 3234/4885HTT 4527/4885RAB9A 1662/4885
US-20120308651-A1 SALTS OF BENZIMIDAZOLYL PYRIDYL ETHERS AND FORMULATIONS THEREOF PIR, BRD8, PHOSPHO1 HCAR3 4778/4885HTT 2225/4885RAB9A 2406/4885

“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.

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