SCHEMBL6572894

SCHEMBL6572894

Cc1cc(NC(=O)CNc2ccc(C#N)cc2)ccc1C(=O)[N+]1(C)CCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
PKM P14618 1/20 0.52
MAPT P10636 7/20 0.47
GAA P10253 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
RORC P51449 4/20 0.41
GRK2 P25098 1/20 0.39
KDM4E B2RXH2 2/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
LRRK2 Q5S007 1/20 0.37

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
SCHEMBL6766527 0.83 MAPT (0.41) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL6571797 0.80 ALDH1A1 (0.53) ALDH1A1PKMMAPTGAAMEN1
SCHEMBL20941644 0.69 ALDH1A1 (0.70) ALDH1A1PKMMAPTGAAMEN1
SCHEMBL6573948 0.69 ALDH1A1 (0.47) ALDH1A1PKMMAPTGAAMEN1
SCHEMBL16208418 0.68 MAPT (0.67) ALDH1A1PKMMAPTGAAMEN1
SCHEMBL20941653 0.68 ALDH1A1 (0.59) ALDH1A1PKMMAPTGAAMEN1
SCHEMBL16208437 0.68 ALDH1A1 (0.59) ALDH1A1PKMMAPTGAAMEN1
SCHEMBL20941786 0.68 NPSR1 (0.58) ALDH1A1PKMMAPTGAAMEN1
SCHEMBL16208436 0.68 ALDH1A1 (0.59) ALDH1A1PKMMAPTGAAMEN1
SCHEMBL20941673 0.67 ALDH1A1 (0.59) ALDH1A1PKMMAPTGAAMEN1

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 669/4885PKM 764/4885MAPT 449/4885

“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.