SCHEMBL135445

SCHEMBL135445

COC(=O)[N+]1(C)CC(Nc2ccc(OCc3ccccc3)cc2C(=O)NCc2ccc(OC)c(OC)c2)C1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.49
RAB9A P51151 1/20 0.49
PPARA Q07869 1/20 0.47
APEX1 P27695 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 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
SCHEMBL14775994 0.85 NPC1 (0.50) NPC1PKMRAB9APPARAAPEX1
SCHEMBL2684459 0.85 NPC1 (0.52) NPC1PKMRAB9APPARAAPEX1
SCHEMBL100763 0.81 NPC1 (0.48) NPC1PKMRAB9APPARAAPEX1
SCHEMBL2684347 0.78 PPARA (0.56) NPC1PKMRAB9APPARAAPEX1
SCHEMBL2684142 0.72 NPC1 (0.55) NPC1PKMRAB9AAPEX1SMN1; SMN2
SCHEMBL6946494 0.72 NPC1 (0.49) NPC1PKMRAB9ASMN1; SMN2LMNA
SCHEMBL6946491 0.72 NPC1 (0.49) NPC1PKMRAB9ASMN1; SMN2LMNA
SCHEMBL474201 0.70 NPC1 (0.45) NPC1PKMRAB9APPARAAPEX1
SCHEMBL10995472 0.70 MAPT (0.58) PPARASMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL581421 0.69 GAA (0.55) PKMAPEX1SMN1; SMN2TSHRLMNA

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-8748441-B2 Therapeutic uses of quinazolinedione derivatives SANOFI (FR) 2014-06-10 US disclosed
US-20120058987-A1 THERAPEUTIC USES OF QUINAZOLINEDIONE DERIVATIVES SANOFI (FR) 2012-03-08 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-20120058987-A1 THERAPEUTIC USES OF QUINAZOLINEDIONE DERIVATIVES SLC5A2, SLC5A1, PPARD NPC1 509/4885PKM 570/4885RAB9A 3883/4885

“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.