SCHEMBL13359474

SCHEMBL13359474

CSc1nc(NC(=O)c2ccccc2C)cn1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 2/20 0.44
BRD4 O60885 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 1/20 0.43
TP53 P04637 3/20 0.43
FFAR1 O14842 1/20 0.43
PKM P14618 1/20 0.42
CACNA1G O43497 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNA1I Q9P0X4 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 1/20 0.41
BCHE P06276 1/20 0.41

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
SCHEMBL13359471 0.83 HPGD (0.42) RAB9ANPC1MAPK1BRD4HTT
SCHEMBL13359488 0.81 ATM (0.53) RAB9ANPC1ALDH1A1MAPTPOLB
SCHEMBL13359491 0.81 CACNA1G (0.57) ALDH1A1CACNA1GCACNA1HCACNA1I
SCHEMBL13359440 0.79 BRD4 (0.46) RAB9ANPC1MAPK1ALDH1A1BRD4
SCHEMBL13359536 0.78 CASP3 (0.43) RAB9ANPC1MAPK1ALDH1A1BRD4
SCHEMBL13359484 0.78 ADORA1 (0.46) RAB9ANPC1ALDH1A1BRD4HTT
SCHEMBL13359538 0.76 CYP11B1 (0.46) RAB9ANPC1ALDH1A1BRD4MAPT
SCHEMBL13359443 0.76 ELOVL1 (0.52) NPC1ALDH1A1HTTMAPTPOLB
SCHEMBL13359475 0.74 POLB (0.53) RAB9ANPC1MAPK1ALDH1A1ALOX15
SCHEMBL13325227 0.72 ALDH1A1 (0.48) RAB9ANPC1ALDH1A1HTTMAPT

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 RAB9A 560/4885NPC1 2613/4885MAPK1 2524/4885

“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.