SCHEMBL13359491

SCHEMBL13359491

CSc1nc(NC(=O)Cc2ccccc2)cn1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 12/20 0.57
CACNA1I Q9P0X4 12/20 0.57
CACNA1H O95180 11/20 0.54
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
ELOVL1 Q9BW60 1/20 0.48
CDK5 Q00535 2/20 0.47
CDK5R1 Q15078 1/20 0.47
CACNA1C Q13936 1/20 0.47
KMT2A Q03164 1/20 0.46
MAPK14 Q16539 1/20 0.46
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
DEGS1 O15121 1/20 0.44

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
SCHEMBL13359484 0.87 ADORA1 (0.46) CACNA1GCACNA1ICACNA1HALDH1A1LMNA
SCHEMBL13359475 0.87 POLB (0.53) CACNA1GCACNA1IALDH1A1LMNACDK5
SCHEMBL13359538 0.85 CYP11B1 (0.46) CACNA1GCACNA1ICACNA1HALDH1A1LMNA
SCHEMBL13359440 0.83 BRD4 (0.46) CACNA1GCACNA1ICACNA1HALDH1A1LMNA
SCHEMBL13359474 0.81 RAB9A (0.44) CACNA1GCACNA1ICACNA1HALDH1A1
SCHEMBL13359443 0.79 ELOVL1 (0.52) ALDH1A1LMNATSHRELOVL1
SCHEMBL13359536 0.78 CASP3 (0.43) CACNA1GCACNA1ICACNA1HALDH1A1LMNA
SCHEMBL13359471 0.78 HPGD (0.42) LMNA
SCHEMBL13359488 0.74 ATM (0.53) ALDH1A1LMNATSHRKMT2A
SCHEMBL13325242 0.69 MAPK8 (0.46) CACNA1GCACNA1ICACNA1HALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718686-B2 Imidazole variants as modulators of GABA receptor for the treatment of GI disorders ASTRAZENECA AB (SE) 2010-05-18 US disclosed
US-20080269216-A1 Imidazole Variants as Modulators of Gaba Receptor For the Treatment of Gi Disorders ASTRAZENECA AB (SE) 2008-10-30 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 (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-20080269216-A1 Imidazole Variants as Modulators of Gaba Receptor For the Treatment of Gi Disorders GABRB1, GABBR2, GABBR1 CACNA1G 681/4885CACNA1I 526/4885CACNA1H 704/4885

“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.