SCHEMBL13359484

SCHEMBL13359484

CSc1nc(NC(=O)CC(C)(C)C)cn1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.46
CACNA1G O43497 8/20 0.43
CACNA1I Q9P0X4 8/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RAB9A P51151 2/20 0.41
PTGER1 P34995 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
CACNA1H O95180 7/20 0.41
BRD4 O60885 1/20 0.41
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNQ4 P56696 1/20 0.39
KCNQ5 Q9NR82 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
SCHEMBL13359491 0.87 CACNA1G (0.57) CACNA1GCACNA1IKMT2ACACNA1HLMNA
SCHEMBL13359538 0.82 CYP11B1 (0.46) CACNA1GCACNA1IMEN1KMT2ARAB9A
SCHEMBL13359440 0.80 BRD4 (0.46) ADORA1CACNA1GCACNA1IMEN1KMT2A
SCHEMBL13359475 0.79 POLB (0.53) CACNA1GCACNA1IMEN1KMT2ARAB9A
SCHEMBL13359474 0.78 RAB9A (0.44) CACNA1GCACNA1IRAB9ANPC1POLB
SCHEMBL13359443 0.76 ELOVL1 (0.52) NPC1POLBGAAMAPTHTT
SCHEMBL13359482 0.76 PDE4A (0.46) MEN1KMT2ARAB9ANPC1HPGD
SCHEMBL13359471 0.75 HPGD (0.42) RAB9ANPC1MAPTHPGDBRD4
SCHEMBL13359536 0.75 CASP3 (0.43) CACNA1GCACNA1IRAB9ANPC1GAA
SCHEMBL13359488 0.72 ATM (0.53) MEN1KMT2ARAB9ANPC1POLB

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 ADORA1 346/4885CACNA1G 681/4885CACNA1I 526/4885

“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.