SCHEMBL4332383

SCHEMBL4332383

CC1(c2cc([N+](=O)[O-])ccc2F)CCOC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE2 Q9Y5Z0 5/20 0.44
BACE1 P56817 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HIF1A Q16665 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 2/20 0.38
HSPB1 P04792 2/20 0.38
HTT P42858 2/20 0.37
THRB P10828 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
CHRNA7 P36544 1/20 0.36
PNMT P11086 3/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36

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
SCHEMBL12684739 0.84 ALDH1A1 (0.53) BACE2BACE1ALDH1A1HIF1AGAA
SCHEMBL2910703 0.79 SMN1; SMN2 (0.48) BACE2BACE1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL2910705 0.79 SMN1; SMN2 (0.48) BACE2BACE1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL2910700 0.79 SMN1; SMN2 (0.46) BACE2BACE1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL4320848 0.78 ALDH1A1 (0.50) BACE2BACE1ALDH1A1HIF1ARAB9A
SCHEMBL29177304 0.77 ALDH1A1 (0.45) ALDH1A1HIF1ASMN1; SMN2RAB9AHSPB1
SCHEMBL4341521 0.77 BACE1 (0.49) BACE2BACE1
SCHEMBL2591835 0.74 BACE1 (0.54) BACE2BACE1
SCHEMBL2591831 0.74 BACE1 (0.54) BACE2BACE1
SCHEMBL12475301 0.72 BACE1 (0.39) BACE2BACE1ALDH1A1

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 BACE2 3405/4885BACE1 4426/4885ALDH1A1 1397/4885
US-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF BACE2 3405/4885BACE1 4426/4885ALDH1A1 1397/4885
US-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF BACE2 3405/4885BACE1 4426/4885ALDH1A1 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.