SCHEMBL14736624

SCHEMBL14736624

NC(=O)Cc1noc(-c2ccccc2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.63
HDAC6 Q9UBN7 3/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
PKM P14618 1/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HDAC1 Q13547 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
FFAR1 O14842 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
SMPD1 P17405 1/20 0.46
PTGS2 P35354 1/20 0.44
CA2 P00918 2/20 0.43

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
SCHEMBL11292526 0.80 NOTUM (0.58) NOTUMHDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL21776935 0.79 NOTUM (0.70) NOTUMHDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL3614850 0.79 NOTUM (0.56) NOTUMHDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL4865565 0.78 NOTUM (1.00) NOTUMHDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL4865554 0.78 NOTUM (0.68) NOTUMHDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL15058774 0.77 FFAR1 (0.66) NOTUMHDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL14122701 0.77 NOTUM (0.63) NOTUMHDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL13615574 0.75 NPC1 (0.66) NOTUMHDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL18606702 0.75 HDAC1 (0.68) NOTUMHDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL9005927 0.75 NOTUM (0.74) NOTUMHDAC6NPC1RAB9ASMN1; SMN2

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 NOTUM 2230/4885HDAC6 182/4885NPC1 2474/4885

“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.