SCHEMBL10124488

SCHEMBL10124488

C=Cc1ccc(CN)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 3/20 0.39
TRPA1 O75762 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
HDAC8 Q9BY41 1/20 0.30
TSHR P16473 1/20 0.30
ALOX5 P09917 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL12802253 0.82 TDP1 (0.42) TP53TDP1ALDH1A1TRPA1SLC6A2
SCHEMBL5115085 0.80 TDP1 (0.41) TP53TDP1ALDH1A1TRPA1SLC6A2
SCHEMBL8340332 0.80 ALDH1A1 (0.43) TDP1ALDH1A1TSHRPTGS2
SCHEMBL809833 0.80 TP53 (0.41) TP53TDP1ALDH1A1TRPA1SLC6A2
SCHEMBL15524799 0.80 TP53 (0.41) TP53TDP1ALDH1A1TRPA1SLC6A2
SCHEMBL29467225 0.80 TP53 (0.41) TP53TDP1ALDH1A1TRPA1SLC6A2
SCHEMBL16952356 0.78 TP53 (0.39) TP53TDP1ALDH1A1TRPA1SLC6A2
SCHEMBL14099492 0.78 SLC6A2 (0.41) TP53TDP1ALDH1A1TRPA1SLC6A2
SCHEMBL7805634 0.77 TP53 (0.38) TP53TDP1ALDH1A1TRPA1SLC6A2
SCHEMBL12226964 0.77 TP53 (0.38) TP53TDP1ALDH1A1TRPA1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093402-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2012-01-10 US disclosed
US-20110137045-A1 BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2011-06-09 US disclosed
US-7906654-B2 (S)(-)-2-(7-chloro-6-fluoro-1H-benzimidazol-1-yl)-N-{1-[4-(1-cyano-1-methylethyl)phenyl]ethyl}acetamide; treatment of pain; vanilloid receptor inhibitor; Antagonists maintain analgesic properties, but avoid pungency and neurotoxicity side effects of agonists ASTRAZENECA AB (SE) 2011-03-15 US disclosed
US-20080221188-A1 New Benzimidazole Derivatives ASTRAZENECA R&D SODERTALJE (SE) 2008-09-11 US 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 (2 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-20080221188-A1 New Benzimidazole Derivatives OPRD1, OPRK1, SDHA TP53 4708/4885TDP1 2725/4885ALDH1A1 316/4885
US-20110137045-A1 BENZIMIDAZOLE DERIVATIVES OPRD1, OPRK1, SDHA TP53 4505/4885TDP1 2746/4885ALDH1A1 198/4885

“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.