SCHEMBL4320848

SCHEMBL4320848

CC1(c2cc([N+](=O)[O-])ccc2F)CO1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
HIF1A Q16665 1/20 0.50
BACE2 Q9Y5Z0 2/20 0.48
BACE1 P56817 2/20 0.48
LMNA P02545 4/20 0.41
MAPT P10636 4/20 0.41
HTT P42858 3/20 0.41
GAA P10253 2/20 0.41
THRB P10828 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
RAB9A P51151 1/20 0.40
CYP3A4 P08684 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
SCHEMBL6024557 0.85 BACE2 (0.39) ALDH1A1HIF1ABACE2BACE1LMNA
SCHEMBL12684739 0.80 ALDH1A1 (0.53) ALDH1A1HIF1ABACE2BACE1LMNA
SCHEMBL4332383 0.78 BACE2 (0.44) ALDH1A1HIF1ABACE2BACE1LMNA
SCHEMBL1980478 0.76 BACE2 (0.47) ALDH1A1HIF1ABACE2BACE1LMNA
SCHEMBL23612362 0.75 ALDH1A1 (0.44) ALDH1A1HIF1ABACE2BACE1LMNA
SCHEMBL29177304 0.73 ALDH1A1 (0.45) ALDH1A1HIF1ALMNAMAPTHTT
SCHEMBL362116 0.73 BACE1 (0.43) BACE2BACE1CYP3A4
SCHEMBL362117 0.73 BACE1 (0.43) BACE2BACE1CYP3A4
SCHEMBL1976963 0.72 BACE1 (0.53) BACE2BACE1
SCHEMBL1976962 0.72 BACE1 (0.53) BACE2BACE1

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 ALDH1A1 1397/4885HIF1A 3012/4885BACE2 3405/4885
US-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF ALDH1A1 1397/4885HIF1A 3012/4885BACE2 3405/4885
US-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF ALDH1A1 1397/4885HIF1A 3012/4885BACE2 3405/4885

“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.