SCHEMBL6571937

SCHEMBL6571937

CCOC(=O)C(C)C(=O)N(c1cc(C)c(N)cc1C)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
MEN1 O00255 3/20 0.32
NPC1 O15118 3/20 0.32
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD17B10 Q99714 2/20 0.31
HPGD P15428 2/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL14797820 0.62 PSEN1 (0.41) ALDH1A1MEN1NPC1KMT2AKDM4E
SCHEMBL7390767 0.62 KDM4E (0.45) ALDH1A1MEN1NPC1KMT2AKDM4E
SCHEMBL655246 0.62 S100B (0.52) ALDH1A1KMT2AKDM4EMAPTCYP1A2
SCHEMBL141446 0.62 ALDH1A1 (0.53) ALDH1A1MEN1NPC1KMT2ACYP2C19
SCHEMBL3347019 0.61 GPR35 (0.37) ALDH1A1MEN1NPC1KMT2AKDM4E
SCHEMBL3020789 0.60 ALOX15 (0.48) ALDH1A1CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL23705018 0.60 HTT (0.43) ALDH1A1MEN1NPC1KMT2AKDM4E
SCHEMBL11920717 0.60 MMP8 (0.43) ALDH1A1MEN1NPC1KMT2AKDM4E
Ethane SCHEMBL9181718 0.60 ALDH1A1 (0.50) ALDH1A1MEN1NPC1KMT2ACYP2C19
SCHEMBL8800602 0.60 ALDH1A1 (0.50) ALDH1A1MEN1NPC1KMT2ACYP2C19

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 ALDH1A1 669/4885MEN1 1875/4885NPC1 1387/4885

“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.