SCHEMBL14736291

SCHEMBL14736291

NCCc1nc(-c2ccccc2)oc1-c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
USP1 O94782 1/20 0.46
USP8 P40818 1/20 0.46
OTUB1 Q96FW1 1/20 0.46
USP36 Q9P275 1/20 0.46
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ATR Q13535 2/20 0.45
PDE10A Q9Y233 1/20 0.45
F2 P00734 1/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 2/20 0.44
TP53 P04637 2/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 2/20 0.44
CHRNA7 P36544 1/20 0.42

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
SCHEMBL14736326 0.86 HSD17B10 (0.46) USP1ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL8518294 0.82 USP2 (0.48) USP2USP1USP8OTUB1USP36
SCHEMBL14736234 0.82 USP2 (0.48) USP2USP1USP8OTUB1USP36
SCHEMBL14736710 0.82 USP2 (0.48) USP2USP1USP8OTUB1USP36
SCHEMBL14736549 0.80 IKBKB (0.50) USP2USP1USP8OTUB1USP36
SCHEMBL14736207 0.79 USP2 (0.48) USP2USP1USP8OTUB1USP36
SCHEMBL1436970 0.74 HRH3 (0.61) PDE10ANPC1RAB9AKDM4EHPGD
SCHEMBL13116254 0.74 CYP19A1 (0.45) USP2USP1USP8OTUB1USP36
SCHEMBL14764298 0.73 USP2 (0.48) USP2USP1USP8OTUB1USP36
SCHEMBL7566190 0.73 NOTUM (0.50) USP1ALDH1A1HSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2753604-B1 PDE10 MODULATORS HOFFMANN LA ROCHE (CH) 2015-08-19 EP claimed
US-8772510-B2 PDE10 modulators HOFFMANN-LA ROCHE INC. (US) 2014-07-08 US claimed
WO-2013034506-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-14 WO claimed
US-20130059833-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 US claimed
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
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 USP2 3010/4885USP1 1274/4885USP8 3311/4885

“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.