SCHEMBL6571792

SCHEMBL6571792

CCOC(=O)CNC(=O)N(c1cc(C)c(NC(=O)CCc2ccc(C#N)cc2)cc1C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.38
MAPT P10636 4/20 0.36
IDO1 P14902 1/20 0.35
ALDH1A1 P00352 6/20 0.35
PKM P14618 1/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FFAR1 O14842 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
SELL P14151 1/20 0.32
SELP P16109 1/20 0.32
SELE P16581 1/20 0.32
CYP4F2 P78329 1/20 0.32

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
SCHEMBL6572891 0.91 IDO1 (0.43) PSMB5IDO1ALDH1A1LMNASMN1; SMN2
SCHEMBL6574412 0.87 ALDH1A1 (0.42) PSMB5MAPTALDH1A1PKMLMNA
SCHEMBL6574030 0.86 F2 (0.43) MAPTALDH1A1SELLSELPSELE
SCHEMBL6574024 0.78 ALDH1A1 (0.43) PSMB5MAPTIDO1ALDH1A1PKM
SCHEMBL6571971 0.73 ALDH1A1 (0.39) MAPTALDH1A1GAAPOLB
SCHEMBL6766013 0.72 ALDH1A1 (0.42) PSMB5MAPTIDO1ALDH1A1PKM
SCHEMBL4506493 0.68 CYP4F2 (0.66) MAPTALDH1A1HTTRAB9AHSD17B10
SCHEMBL8528205 0.67 PPID (0.52) MAPTSMN1; SMN2GAAHTTRAB9A
SCHEMBL7619439 0.66 ALDH1A1 (0.44) PSMB5MAPTALDH1A1SMN1; SMN2GAA
SCHEMBL6779871 0.64 MAPT (0.47) MAPTALDH1A1PKMSMN1; SMN2GAA

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 PSMB5 1665/4885MAPT 449/4885IDO1 175/4885

“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.