SCHEMBL1031979

SCHEMBL1031979

O=[N+]([O-])c1cccc2ccc(-c3ccncc3)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.55
PKN1 Q16512 1/20 0.55
PKN2 Q16513 1/20 0.55
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
AR P10275 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 10/20 0.46
KMT2A Q03164 10/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 2/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
TDP1 Q9NUW8 3/20 0.45

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
SCHEMBL1031073 0.88 MEN1 (0.55) PDE10ARAB9ANPC1MEN1KMT2A
SCHEMBL1033478 0.87 PDE10A (0.58) PDE10APKN1PKN2RAB9ANPC1
SCHEMBL1645512 0.81 PDE10A (0.50) PDE10ARAB9ANPC1CYP1A2MEN1
SCHEMBL1034974 0.79 MEN1 (0.49) PDE10APKN1PKN2RAB9ANPC1
SCHEMBL1035540 0.75 MEN1 (0.54) PDE10AMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL1645511 0.75 ALDH1A1 (0.56) PDE10ARAB9ANPC1CYP1A2CYP3A4
SCHEMBL11232737 0.73 PKN1 (0.44) PKN1PKN2RAB9ANPC1CYP1A2
SCHEMBL3789449 0.73 MAP2K3 (0.44) PKN1PKN2RAB9ANPC1CYP1A2
SCHEMBL11234631 0.73 PDE7A (0.50) PKN1PKN2RAB9ANPC1CYP1A2
SCHEMBL1035319 0.72 MEN1 (0.51) PDE10ARAB9ANPC1CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
EP-2273992-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-01-19 EP disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 WO 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-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 PDE10A 3093/4885PKN1 3518/4885PKN2 4092/4885

“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.