SCHEMBL6570580

SCHEMBL6570580

Cc1cc(NC(C)C)c(C)cc1COC(=O)Nc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
LMNA P02545 5/20 0.43
MAPT P10636 3/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MGLL Q99685 1/20 0.42
HPGD P15428 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 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
SCHEMBL6570585 0.81 NPC1 (0.64) NPC1RAB9AMAPTSMN1; SMN2MGLL
SCHEMBL6574038 0.80 NPC1 (0.48) NPC1RAB9ALMNAMAPTHTT
SCHEMBL6570576 0.76 ALDH1A1 (0.50) NPC1RAB9ALMNASMN1; SMN2MAPK1
SCHEMBL8442974 0.69 NPC1 (0.51) NPC1RAB9ALMNAMAPTHTT
Ethyl Phenylcarbamate SCHEMBL11593824 0.69 RAB9A (0.75) NPC1RAB9ALMNAMAPTSMN1; SMN2
Ethyl Phenylcarbamate SCHEMBL264865 0.69 RAB9A (0.75) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL1336033 0.68 POLB (0.60) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL8602983 0.68 LMNA (0.74) NPC1RAB9ALMNAHTTSMN1; SMN2
Benzyl Phenylcarbamate SCHEMBL1222943 0.67 POLB (0.78) NPC1RAB9ALMNAMAPTSMN1; SMN2
Ethyl Phenylcarbamate SCHEMBL27486650 0.67 RAB9A (0.73) NPC1RAB9ALMNAMAPTSMN1; 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 1413/4885LMNA 1447/4885

“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.