SCHEMBL6764579

SCHEMBL6764579

CCOC(=O)CCC(=O)N(c1cc(C)c(N(Cc2ccccc2)C(=O)O)cc1C)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.41
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX5 P09917 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
LTA4H P09960 2/20 0.39
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
TSPO P30536 1/20 0.36

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
SCHEMBL6573962 0.79 NPC1 (0.49) SMN1; SMN2L3MBTL1HSD17B10KMT2ANPC1
SCHEMBL6565369 0.77 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1L3MBTL1POLBKMT2A
SCHEMBL691909 0.70 SMN1; SMN2 (0.56) SMN1; SMN2TRPM8ALDH1A1L3MBTL1LMNA
SCHEMBL1140947 0.67 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1L3MBTL1LMNAPOLB
SCHEMBL9324850 0.67 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1L3MBTL1LMNAPOLB
SCHEMBL23513252 0.66 SMN1; SMN2 (0.51) SMN1; SMN2TRPM8ALDH1A1L3MBTL1LMNA
SCHEMBL13086854 0.66 SMN1; SMN2 (0.51) SMN1; SMN2TRPM8ALDH1A1L3MBTL1LMNA
SCHEMBL27493267 0.66 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1L3MBTL1LMNAPOLB
SCHEMBL1303146 0.66 LTA4H (0.62) SMN1; SMN2ALDH1A1L3MBTL1LMNAPOLB
SCHEMBL10500044 0.65 ALOX5 (0.47) SMN1; SMN2ALDH1A1L3MBTL1LMNAPOLB

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 1 patent. 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

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 SMN1; SMN2 2628/4885TRPM8 2746/4885ALDH1A1 669/4885

“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.