SCHEMBL6572891

SCHEMBL6572891

CCOC(=O)CNC(=O)N(c1cc(C)c(NC(=O)Cc2ccc(C#N)cc2)cc1C)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.43
RORC P51449 5/20 0.37
PSMB5 P28074 1/20 0.35
CACNA1H O95180 3/20 0.35
NTRK1 P04629 2/20 0.34
MAPK8 P45983 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK9 P45984 3/20 0.33
MAPK10 P53779 3/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL6571792 0.91 PSMB5 (0.38) IDO1PSMB5ALDH1A1LMNAHPGD
SCHEMBL6574412 0.89 ALDH1A1 (0.42) PSMB5ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL6570531 0.85 F2 (0.41) SMN1; SMN2HDAC4HDAC6
SCHEMBL6574024 0.77 ALDH1A1 (0.43) IDO1PSMB5ALDH1A1LMNAHPGD
SCHEMBL6571971 0.74 ALDH1A1 (0.39) ALDH1A1
SCHEMBL6766013 0.73 ALDH1A1 (0.42) IDO1RORCPSMB5ALDH1A1LMNA
SCHEMBL4801215 0.66 CYP2A6 (0.50) ALDH1A1LMNASMN1; SMN2
SCHEMBL20941685 0.66 ALDH1A1 (0.49) IDO1RORCMAPK8L3MBTL1ALDH1A1
SCHEMBL8138307 0.65 PPID (0.69) ALDH1A1HPGDSMN1; SMN2
SCHEMBL12700241 0.65 HPGD (0.70) RORCMAPK8L3MBTL1LMNAHPGD

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 IDO1 175/4885RORC 1596/4885PSMB5 1665/4885

“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.