SCHEMBL14736459

SCHEMBL14736459

O=C(O)NCCc1nc(-c2ccccc2)c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
MAPT P10636 4/20 0.41
TP53 P04637 3/20 0.41
PDE2A O00408 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LTA4H P09960 1/20 0.39
PLA2G2A P14555 1/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
NAMPT P43490 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
SCHEMBL2338147 0.97 LTA4H (0.42) CYP3A4MAPTTP53PDE2AHIF1A
SCHEMBL2348002 0.89 HDAC3 (0.43) CYP3A4LMNA
SCHEMBL2342304 0.88 LTA4H (0.47) LTA4HPLA2G2A
SCHEMBL14736755 0.88 MAPK1 (0.44) CYP3A4MAPTTP53ALDH1A1MAPK1
SCHEMBL2347577 0.87 LMNA (0.41) CYP3A4MAPTMAPK1LMNARXFP1
SCHEMBL2340396 0.87 MEN1 (0.41) TP53MAPK1LMNAMEN1KMT2A
SCHEMBL4699279 0.87 ALPL (0.38) CYP3A4MAPTTP53HIF1AALDH1A1
SCHEMBL4033995 0.87 TP53 (0.42) MAPTTP53CDK4CCND1
SCHEMBL4036430 0.86 SCN9A (0.40) MAPTHIF1AALDH1A1
SCHEMBL4034076 0.86 LMNA (0.37) CYP3A4MAPTTP53ALDH1A1LTA4H

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
WO-2016109501-A1 AMIDE COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS, INC. (US) 2016-07-07 WO disclosed
EP-2753604-B1 PDE10 MODULATORS HOFFMANN LA ROCHE (CH) 2015-08-19 EP disclosed
US-8772510-B2 PDE10 modulators HOFFMANN-LA ROCHE INC. (US) 2014-07-08 US disclosed
EP-2574607-A1 PDE10 modulators F. Hoffmann-La Roche AG (CH) 2013-04-03 EP disclosed
WO-2013034506-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-14 WO disclosed
US-20130059833-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 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-20130059833-A1 PDE10 MODULATORS PDE10A, PDE5A, PDE2A CYP3A4 1490/4885MAPT 1196/4885TP53 4640/4885

“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.