SCHEMBL4323736

SCHEMBL4323736

CNc1cc(OC)c(Oc2ccnc(C(=O)OC(C)(C)C)c2)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 2/20 0.39
KDR P35968 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAF1 P04049 2/20 0.37
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.36
PKM P14618 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PYGL P06737 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
SCHEMBL4320169 0.87 HCAR3 (0.43) PDGFRAKDRALDH1A1HPGDMEN1
SCHEMBL4334360 0.86 MEN1 (0.45) PDGFRAKDRALDH1A1MEN1KMT2A
SCHEMBL6025080 0.86 RAF1 (0.39) PDGFRAKDRALDH1A1HPGDNPSR1
SCHEMBL1435646 0.85 HCAR3 (0.43) KDRALDH1A1HPGDNPSR1MEN1
SCHEMBL2892469 0.84 RAF1 (0.39) KDRRAF1PYGLPYGM
Trifluoroacetic Acid SCHEMBL6025075 0.84 LMNA (0.40) PDGFRAKDRALDH1A1HPGDMEN1
SCHEMBL4339448 0.79 MEN1 (0.43) PDGFRAKDRALDH1A1MEN1KMT2A
SCHEMBL4321912 0.79 HTT (0.47) PDGFRAKDRALDH1A1MEN1KMT2A
SCHEMBL2891203 0.78 MEN1 (0.41) PDGFRAKDRALDH1A1MEN1KMT2A
SCHEMBL14565871 0.75 MAPT (0.45) ALDH1A1HPGDNPSR1MEN1KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE COSTALES ABRAN (US) 2013-08-29 US disclosed
US-8415382-B2 Substituted benzazoles and methods of their use as inhibitors of RAF Kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2013-04-09 US disclosed
EP-1682126-B1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-07-01 EP disclosed
US-20090035309-A1 Substituted Benzazoles and Methods of Their Use as Inhibitors of RAF Kinase NOVARTIS AG 2009-02-05 US disclosed
US-7423150-B2 Substituted benzazoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2008-09-09 US disclosed
EP-1682126-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2006-07-26 EP disclosed
US-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase CHIRON CORPORATION (US) 2005-09-01 US disclosed
WO-2005037273-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2005-04-28 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 (3 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-20090035309-A1 Substituted Benzazoles and Methods of Their Use as Inhibitors of RAF Kinase BRAF, RAF1, ARAF PDGFRA 917/4885KDR 1373/4885ALDH1A1 1397/4885
US-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF PDGFRA 917/4885KDR 1373/4885ALDH1A1 1397/4885
US-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF PDGFRA 917/4885KDR 1373/4885ALDH1A1 1397/4885

“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.