SCHEMBL6574035

SCHEMBL6574035

Cc1cc(COC(=O)c2ccccc2N)c(C)cc1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.60
HSD17B10 Q99714 8/20 0.60
KDM4E B2RXH2 4/20 0.52
POLB P06746 2/20 0.52
NPC1 O15118 6/20 0.51
RAB9A P51151 5/20 0.51
TSHR P16473 5/20 0.51
HPGD P15428 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
GLA P06280 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPK1 P28482 1/20 0.51
HIF1A Q16665 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50

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
SCHEMBL6570576 0.82 ALDH1A1 (0.50) ALDH1A1HSD17B10KDM4EPOLBNPC1
SCHEMBL22691982 0.80 ALDH1A1 (0.49) ALDH1A1HSD17B10KDM4EPOLBNPC1
Ethyl Anthranilate SCHEMBL30055126 0.76 ALDH1A1 (1.00) ALDH1A1HSD17B10KDM4EPOLBNPC1
Ethyl Anthranilate SCHEMBL34474 0.76 ALDH1A1 (1.00) ALDH1A1HSD17B10KDM4EPOLBNPC1
SCHEMBL1805376 0.76 ALDH1A1 (0.80) ALDH1A1HSD17B10KDM4EPOLBNPC1
SCHEMBL24455161 0.75 ALDH1A1 (0.54) ALDH1A1HSD17B10POLBNPC1RAB9A
SCHEMBL30498658 0.75 ALDH1A1 (0.54) ALDH1A1HSD17B10POLBNPC1RAB9A
SCHEMBL28669449 0.75 ALDH1A1 (0.50) ALDH1A1HSD17B10KDM4EPOLBNPC1
SCHEMBL6574038 0.75 NPC1 (0.48) ALDH1A1HSD17B10POLBNPC1RAB9A
Ethyl Anthranilate SCHEMBL1396081 0.75 ALDH1A1 (0.96) ALDH1A1HSD17B10KDM4EPOLBNPC1

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 669/4885HSD17B10 1190/4885KDM4E 1576/4885

“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.