SCHEMBL14735989

SCHEMBL14735989

NCCc1nc(-c2ccc(Cl)cc2)no1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.76
SIRT2 Q8IXJ6 3/20 0.68
TSHR P16473 2/20 0.64
ALDH1A1 P00352 2/20 0.62
CYP1A2 P05177 3/20 0.61
CYP2D6 P10635 2/20 0.61
CYP2C19 P33261 2/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
IDO1 P14902 1/20 0.61
TDP1 Q9NUW8 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
POLB P06746 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
SCN5A Q14524 2/20 0.56
SCN10A Q9Y5Y9 2/20 0.56
LMNA P02545 1/20 0.56

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
SCHEMBL7895236 0.86 NOTUM (1.00) NOTUMSIRT2TSHRALDH1A1CYP1A2
SCHEMBL28869605 0.85 SIRT2 (0.69) NOTUMSIRT2TSHRALDH1A1CYP1A2
SCHEMBL7152014 0.83 SIRT2 (0.68) NOTUMSIRT2TSHRALDH1A1CYP1A2
SCHEMBL14679168 0.83 TDP1 (0.62) NOTUMTSHRTDP1L3MBTL1NPC1
SCHEMBL14736563 0.83 RAB9A (0.70) NOTUMTSHRALDH1A1CYP1A2CYP2C19
SCHEMBL28869626 0.82 SIRT2 (0.75) NOTUMSIRT2TSHRALDH1A1CYP1A2
SCHEMBL8293861 0.81 GRM5 (0.53) NOTUMTSHRTDP1L3MBTL1NPC1
SCHEMBL507782 0.81 NOTUM (0.72) NOTUMSIRT2TSHRALDH1A1CYP1A2
SCHEMBL5717732 0.80 TSHR (0.77) NOTUMSIRT2TSHRALDH1A1CYP1A2
SCHEMBL3119605 0.80 RAB9A (0.49) NOTUMSIRT2TSHRALDH1A1CYP1A2

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 2230/4885SIRT2 1405/4885TSHR 797/4885

“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.