SCHEMBL14736867

SCHEMBL14736867

C[C](Cc1nc(-c2ccccc2)no1)C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.56
ALDH1A1 P00352 5/20 0.55
POLB P06746 1/20 0.52
TSHR P16473 2/20 0.51
NPC1 O15118 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL9830088 0.85 NOTUM (0.63) NOTUMALDH1A1TSHRNPC1CYP1A2
SCHEMBL14736736 0.85 NOTUM (0.63) NOTUMALDH1A1POLBTSHRNPC1
SCHEMBL4611029 0.82 ALDH1A1 (0.68) NOTUMALDH1A1TSHRNPC1CYP1A2
SCHEMBL3756027 0.78 ALDH1A1 (0.58) NOTUMALDH1A1TSHRNPC1RAB9A
SCHEMBL3616245 0.78 NOTUM (0.58) NOTUMALDH1A1POLBTSHRNPC1
SCHEMBL7977108 0.77 ALDH1A1 (0.69) NOTUMALDH1A1TSHRNPC1CYP1A2
SCHEMBL11983369 0.77 ALDH1A1 (0.69) NOTUMALDH1A1TSHRNPC1CYP1A2
SCHEMBL22530488 0.74 TSHR (0.49) NOTUMALDH1A1TSHR
SCHEMBL2089284 0.73 NOTUM (0.68) NOTUMALDH1A1TSHRNPC1CYP1A2
SCHEMBL17595755 0.73 NOTUM (1.00) NOTUMALDH1A1TSHRNPC1CYP1A2

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 10 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
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
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 2230/4885ALDH1A1 775/4885POLB 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.