SCHEMBL4336489

SCHEMBL4336489

CNc1ccc(Oc2ccnc(NC(=O)CCCN3CCOCC3)c2)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
LMNA P02545 3/20 0.47
CHRNA3 P32297 1/20 0.45
KDM4E B2RXH2 3/20 0.45
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL4328411 0.87 CHRNA3 (0.47) CHRNA3POLBMAPK1L3MBTL1CA1
SCHEMBL4320458 0.87 LMNA (0.46) MAPTLMNAKDM4EKMT2APOLB
SCHEMBL13788588 0.82 ALDH1A1 (0.52) MAPTLMNAKDM4EKMT2APKM
SCHEMBL4331297 0.80 TP53 (0.53) MAPTLMNAKDM4EKMT2APKM
SCHEMBL4326186 0.80 MAPT (0.49) MAPTKMT2APOLBPKMALDH1A1
SCHEMBL4320354 0.79 SMN1; SMN2 (0.44) MAPTKMT2APOLBPKMALDH1A1
SCHEMBL4337466 0.79 ALDH1A1 (0.65) LMNAKDM4EKMT2APKMALDH1A1
SCHEMBL4330329 0.78 SMN1; SMN2 (0.50) MAPTKMT2APOLBPKMALDH1A1
SCHEMBL13788549 0.78 ALDH1A1 (0.52) MAPTLMNAKDM4EKMT2APKM
SCHEMBL13788595 0.77 ALDH1A1 (0.58) MAPTLMNAKDM4EKMT2APKM

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 MAPT 4054/4885LMNA 3081/4885CHRNA3 4496/4885
US-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF MAPT 4054/4885LMNA 3081/4885CHRNA3 4496/4885
US-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF MAPT 4054/4885LMNA 3081/4885CHRNA3 4496/4885

“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.