SCHEMBL13359482

SCHEMBL13359482

CSc1nc(NC(=O)c2ccc(Cl)c(Cl)c2)cn1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
ADORA3 P0DMS8 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAOB P27338 2/20 0.43
LMNA P02545 2/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
PTGDR2 Q9Y5Y4 3/20 0.42
KDM4E B2RXH2 1/20 0.42
PPARG P37231 1/20 0.42
MAOA P21397 1/20 0.42
PRMT1 Q99873 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 0.80 HPGD (0.42) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL13359536 0.80 CASP3 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL13359474 0.79 RAB9A (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL13359491 0.78 CACNA1G (0.57) ADORA3ALDH1A1LMNAKMT2A
SCHEMBL4575931 0.77 PPARG (0.45) ADORA3ALDH1A1IRAK4PTGDR2KDM4E
SCHEMBL13359440 0.77 BRD4 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL13359484 0.76 ADORA1 (0.46) ADORA3NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13359538 0.74 CYP11B1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL13325140 0.73 ADORA3 (0.51) ADORA3RAB9AALDH1A1IRAK4PTGDR2
SCHEMBL13359443 0.73 ELOVL1 (0.52) NPC1SMN1; SMN2ALDH1A1LMNA

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 PDE4A 830/4885PDE4B 789/4885PDE4C 1431/4885

“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.