SCHEMBL4600422

SCHEMBL4600422

COc1ccc(-c2ccc(C#N)cc2)cc1C=O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 14/20 0.50
ACLY P53396 1/20 0.49
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL29950818 0.87 ALDH1A1 (0.50) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL5221782 0.87 ALDH1A1 (0.50) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL5621128 0.87 ACLY (0.50) ERN1ACLYALDH1A1KDM4ETSHR
SCHEMBL6098469 0.85 ERN1 (0.45) ERN1ACLYALDH1A1KDM4EMAPT
SCHEMBL5622916 0.84 ERN1 (0.50) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL4731733 0.84 MAPT (0.47) ERN1ACLYALDH1A1KDM4EMAPT
SCHEMBL4600063 0.83 AR (0.43) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL6505690 0.82 ERN1 (0.72) ERN1
SCHEMBL6098475 0.82 ERN1 (0.50) ERN1ACLYALDH1A1KDM4ETSHR
SCHEMBL6061082 0.82 HPGD (0.47) ERN1ALDH1A1KDM4ETSHRTDP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910292-A1 PIPERIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
US-20070149570-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 US disclosed
WO-2007015588-A1 PIPERIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-08 WO disclosed
EP-1682518-A1 DICATIONIC TRIARYL ANALOGS AS ANTI-PROTOZOAN AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2006-07-26 EP disclosed
US-20050148646-A1 Dicationic triaryl analogs as anti-protozoan agents BOYKIN DAVID W (US) 2005-07-07 US disclosed
WO-2005040132-A1 DICATIONIC TRIARYL ANALOGS AS ANTI-PROTOZOAN AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-05-06 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 (2 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-20070149570-A1 Piperidine derivative and use thereof TACR1, OPRL1, TRPV1 ERN1 4124/4885ACLY 3547/4885ALDH1A1 915/4885
US-20050148646-A1 Dicationic triaryl analogs as anti-protozoan agents DDT, DDC, DARS1 ERN1 3847/4885ACLY 864/4885ALDH1A1 3350/4885

“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.