SCHEMBL14736709

SCHEMBL14736709

OCc1nc(-c2ccccc2)nn1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.53
HDAC6 Q9UBN7 13/20 0.53
SMN1; SMN2 Q16637 1/20 0.41
NOTUM Q6P988 1/20 0.41
KDM4A O75164 1/20 0.41

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
SCHEMBL14736465 0.87 PDE10A (0.47) HDAC1HDAC6SMN1; SMN2
SCHEMBL11297901 0.83 HDAC1 (0.50) HDAC1HDAC6
SCHEMBL14736136 0.83 HDAC1 (0.50) HDAC1HDAC6
SCHEMBL6364987 0.80 KMT2A (0.52) HDAC1HDAC6SMN1; SMN2NOTUM
SCHEMBL14118418 0.80 HDAC1 (0.48) HDAC1HDAC6
SCHEMBL14736627 0.80 HDAC1 (0.48) HDAC1HDAC6
SCHEMBL14736860 0.80 HDAC1 (0.54) HDAC1HDAC6SMN1; SMN2
SCHEMBL14736132 0.79 HDAC1 (0.47) HDAC1HDAC6
SCHEMBL2035500 0.77 NR1H3 (0.58) SMN1; SMN2NOTUM
SCHEMBL21471362 0.77 KDM4A (0.47) HDAC1HDAC6SMN1; SMN2KDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HDAC1 125/4885HDAC6 182/4885SMN1; SMN2 1133/4885

“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.