SCHEMBL2684459

SCHEMBL2684459

COc1ccc(CNC(=O)c2cc(OCc3ccccc3)ccc2NC2CCSCC2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
PKM P14618 1/20 0.52
RAB9A P51151 1/20 0.52
PPARA Q07869 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
APEX1 P27695 1/20 0.46
GAA P10253 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 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
SCHEMBL14775994 0.86 NPC1 (0.50) NPC1PKMRAB9APPARASMN1; SMN2
SCHEMBL581421 0.86 GAA (0.55) PKMSMN1; SMN2APEX1GAAALDH1A1
SCHEMBL135445 0.85 NPC1 (0.49) NPC1PKMRAB9APPARASMN1; SMN2
SCHEMBL100763 0.82 NPC1 (0.48) NPC1PKMRAB9APPARASMN1; SMN2
SCHEMBL2684347 0.79 PPARA (0.56) NPC1PKMRAB9APPARASMN1; SMN2
SCHEMBL2684142 0.77 NPC1 (0.55) NPC1PKMRAB9ASMN1; SMN2APEX1
SCHEMBL6946491 0.77 NPC1 (0.49) NPC1PKMRAB9ASMN1; SMN2GAA
SCHEMBL6946494 0.77 NPC1 (0.49) NPC1PKMRAB9ASMN1; SMN2GAA
SCHEMBL583112 0.74 APEX1 (0.53) NPC1PKMRAB9ASMN1; SMN2APEX1
SCHEMBL2683839 0.72 APEX1 (0.46) PKMSMN1; SMN2APEX1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722659-B2 Quinazolinedione derivatives, preparation thereof and various therapeutic uses thereof SANOFI (FR) 2014-05-13 US disclosed
US-8722659-B2 Quinazolinedione derivatives, preparation thereof and various therapeutic uses thereof SANOFI (FR) 2014-05-13 US disclosed
US-20120115846-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND VARIOUS THERAPEUTIC USES THEREOF. SANOFI (FR) 2012-05-10 US disclosed
US-20120115846-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND VARIOUS THERAPEUTIC USES THEREOF. SANOFI (FR) 2012-05-10 US disclosed
WO-2010116088-A2 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND VARIOUS THERAPEUTIC USES THEREOF SANOFI-AVENTIS (FR) 2010-10-14 WO 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-20120115846-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND VARIOUS THERAPEUTIC USES THEREOF. CYP27B1, NDUFB3, MT-ND5 NPC1 2153/4885PKM 361/4885RAB9A 2427/4885

“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.