SCHEMBL3045467

SCHEMBL3045467

CC(C)(C)c1ccc(CNC(=O)Cn2cnc3cccc(C(F)(F)F)c32)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TRPV1 Q8NER1 1/20 0.48
TRPA1 O75762 1/20 0.46
ENPP2 Q13822 6/20 0.45
AR P10275 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
TP53 P04637 4/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 2/20 0.43
HDAC6 Q9UBN7 1/20 0.41
GAA P10253 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
SCHEMBL3038445 0.88 TRPV1 (0.55) SMN1; SMN2LMNAL3MBTL1TRPV1TRPA1
SCHEMBL4973583 0.86 LMNA (0.52) SMN1; SMN2LMNAL3MBTL1TRPV1ENPP2
SCHEMBL4974450 0.86 TRPV1 (0.51) SMN1; SMN2LMNAL3MBTL1TRPV1ENPP2
SCHEMBL4975771 0.85 LMNA (0.54) SMN1; SMN2LMNAL3MBTL1TRPV1ENPP2
SCHEMBL4976192 0.84 LMNA (0.50) SMN1; SMN2LMNAL3MBTL1TRPV1ENPP2
SCHEMBL4457066 0.84 LMNA (0.53) SMN1; SMN2LMNAL3MBTL1TRPV1NPC1
SCHEMBL4976631 0.84 SMN1; SMN2 (0.49) SMN1; SMN2LMNAL3MBTL1TRPV1TRPA1
SCHEMBL4975293 0.84 LMNA (0.49) SMN1; SMN2LMNAL3MBTL1TRPV1ENPP2
SCHEMBL3044801 0.83 LMNA (0.48) SMN1; SMN2LMNAL3MBTL1TRPV1NPC1
SCHEMBL3046393 0.82 KMT2A (0.48) SMN1; SMN2LMNAL3MBTL1TRPV1ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645784-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2010-01-12 US claimed
EP-2042490-A2 Benzimidazole derivatives as vanilloid receptor antagonists AstraZeneca AB (SE) 2009-04-01 EP claimed
EP-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 EP claimed
US-20060287377-A1 New benzimidazole derivatives ASTRAZENECA AB (SE) 2006-12-21 US claimed
EP-1626964-A2 NEW BENZIMIDAZOLE DERIVATIVES AstraZeneca AB (SE) 2006-02-22 EP claimed
WO-2004100865-A2 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-11-25 WO claimed
US-7645784-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2010-01-12 US disclosed
EP-2042490-A2 Benzimidazole derivatives as vanilloid receptor antagonists AstraZeneca AB (SE) 2009-04-01 EP disclosed
EP-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 EP disclosed
US-20060287377-A1 New benzimidazole derivatives ASTRAZENECA AB (SE) 2006-12-21 US disclosed
EP-1626964-A2 NEW BENZIMIDAZOLE DERIVATIVES AstraZeneca AB (SE) 2006-02-22 EP disclosed
WO-2004100865-A2 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-11-25 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 (1 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-20060287377-A1 New benzimidazole derivatives CYP2C9, CDK9, CCNI SMN1; SMN2 2297/4885LMNA 671/4885L3MBTL1 1610/4885

“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.