SCHEMBL14735987

SCHEMBL14735987

NC(=O)Cc1nc(-c2ccc(Cl)cc2)no1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.65
TSHR P16473 2/20 0.63
MAPT P10636 1/20 0.63
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
IDO1 P14902 1/20 0.60
CYP2C19 P33261 1/20 0.60
SIRT2 Q8IXJ6 3/20 0.58
NPC1 O15118 1/20 0.55
LMNA P02545 1/20 0.55
RAB9A P51151 1/20 0.55
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL5717732 0.85 TSHR (0.77) NOTUMTSHRMAPTCYP1A2CYP3A4
SCHEMBL14374424 0.85 NOTUM (0.65) NOTUMTSHRMAPTCYP1A2CYP3A4
SCHEMBL14736736 0.84 NOTUM (0.63) NOTUMTSHRMAPTCYP1A2CYP2D6
SCHEMBL5717832 0.84 LMNA (0.73) NOTUMTSHRMAPTSIRT2NPC1
SCHEMBL25295300 0.81 TSHR (0.63) NOTUMTSHRMAPTSIRT2NPC1
SCHEMBL29758972 0.81 MAPT (0.66) NOTUMTSHRMAPTCYP1A2CYP3A4
SCHEMBL10926847 0.79 MAPT (0.43) NOTUMTSHRMAPTCYP1A2CYP3A4
SCHEMBL5356293 0.79 NOTUM (1.00) NOTUMTSHRCYP1A2CYP3A4CYP2D6
SCHEMBL7895236 0.79 NOTUM (1.00) NOTUMTSHRCYP1A2CYP3A4CYP2D6
SCHEMBL2094888 0.79 NOTUM (0.70) NOTUMTSHRCYP1A2CYP3A4CYP2D6

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 9 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
EP-2574607-A1 PDE10 modulators F. Hoffmann-La Roche AG (CH) 2013-04-03 EP 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 2230/4885TSHR 797/4885MAPT 1196/4885

“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.