SCHEMBL6573962

SCHEMBL6573962

CCOC(=O)CCC(=O)N(c1cc(C)c(NC(=O)OCc2ccccc2)cc1C)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.42
OPRK1 P41145 2/20 0.40
NLRP3 Q96P20 2/20 0.40
MAPT P10636 1/20 0.40
MGLL Q99685 2/20 0.39
FAAH O00519 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAOB P27338 1/20 0.39
CASP3 P42574 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6764579 0.79 SMN1; SMN2 (0.46) NPC1RAB9AKMT2ASMN1; SMN2L3MBTL1
SCHEMBL6570585 0.75 NPC1 (0.64) NPC1RAB9AOPRK1MAPTMGLL
SCHEMBL3028818 0.72 NPC1 (0.68) NPC1RAB9AOPRK1MAPTMGLL
SCHEMBL4201821 0.71 NPC1 (0.66) NPC1RAB9AOPRK1MAPTMGLL
SCHEMBL27493267 0.70 ALDH1A1 (0.61) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL13776053 0.69 CTSK (0.51) KMT2ASIRT2
SCHEMBL19120696 0.69 MGLL (0.52) NPC1RAB9AMAPTMGLLSMN1; SMN2
SCHEMBL5853278 0.68 NPC1 (1.00) NPC1RAB9AKMT2AMAPTMGLL
SCHEMBL11766069 0.68 NPC1 (0.72) NPC1RAB9AOPRK1MAPTMGLL
SCHEMBL4218396 0.68 NPC1 (0.68) NPC1RAB9AMGLLFAAHSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040248897-A1 Substituted N-acylaniline derivatives, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-12-09 US disclosed
EP-1414790-A1 SUBSTITUTED N-ACYL ANILINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-05-06 EP disclosed
WO-2003000653-A1 SUBSTITUTED N-ACYL ANILINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO.KG (DE) 2003-01-03 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-20040248897-A1 Substituted N-acylaniline derivatives, the preparation thereof, and their use as pharmaceutical compositions NAT1, CYP3A5, CYP3A7 NPC1 1387/4885RAB9A 1413/4885KMT2A 1232/4885

“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.