SCHEMBL14736671

SCHEMBL14736671

NC(=O)Cn1cnc(-c2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.53
HDAC6 Q9UBN7 11/20 0.53
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.42
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
PDE10A Q9Y233 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CTSD P07339 1/20 0.39
BACE1 P56817 1/20 0.39

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
SCHEMBL17927906 0.87 HDAC1 (0.56) HDAC1HDAC6POLBHPGDPDE10A
SCHEMBL21691972 0.81 HDAC1 (0.51) HDAC1HDAC6POLBALDH1A1PDE10A
SCHEMBL412815 0.78 HMOX1 (0.57) HDAC1HDAC6POLB
SCHEMBL21872254 0.78 HDAC1 (0.49) HDAC1HDAC6POLBALDH1A1LMNA
SCHEMBL11604895 0.77 HDAC1 (0.53) HDAC1HDAC6ALDH1A1LMNAPDE10A
SCHEMBL14736672 0.75 HDAC1 (0.47) HDAC1HDAC6PDE10A
SCHEMBL8830140 0.74 HDAC1 (0.49) HDAC1HDAC6ALDH1A1PDE10AGAA
SCHEMBL14736695 0.74 PDE10A (0.54) HDAC1HDAC6PDE10A
Hydrochloric Acid SCHEMBL14736481 0.73 HDAC1 (0.46) HDAC1HDAC6PDE10A
SCHEMBL16181367 0.73 RAB9A (0.45) HDAC1HDAC6POLBHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772510-B2 PDE10 modulators HOFFMANN-LA ROCHE INC. (US) 2014-07-08 US 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
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 HDAC1 125/4885HDAC6 182/4885POLB 2663/4885

“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.