SCHEMBL1036343

SCHEMBL1036343

Cc1cncc(-c2ccc3cccc(C(=O)Nc4nccs4)c3n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.48
ALDH1A1 P00352 3/20 0.48
PKM P14618 1/20 0.48
PSMD14 O00487 1/20 0.48
STAMBP O95630 1/20 0.48
COPS5 Q92905 1/20 0.48
NPC1 O15118 6/20 0.47
RAB9A P51151 5/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
CYP1A2 P05177 2/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 1/20 0.46
POLB P06746 1/20 0.46
PPARG P37231 1/20 0.46
NR2E3 Q9Y5X4 1/20 0.46

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
SCHEMBL1033853 0.86 NPC1 (0.52) HPGDALDH1A1PKMPSMD14STAMBP
SCHEMBL1034439 0.85 SIRT2 (0.50) HPGDALDH1A1PKMPSMD14STAMBP
SCHEMBL1034301 0.84 HPGD (0.60) HPGDALDH1A1PKMNPC1RAB9A
SCHEMBL1034198 0.81 NPC1 (0.51) HPGDALDH1A1PKMPSMD14STAMBP
SCHEMBL1032904 0.80 HPGD (0.49) HPGDALDH1A1PKMPSMD14STAMBP
SCHEMBL1034835 0.79 SIRT2 (0.51) HPGDALDH1A1PKMPSMD14STAMBP
SCHEMBL1031182 0.79 SIRT2 (0.48) HPGDALDH1A1PKMPSMD14STAMBP
SCHEMBL1031180 0.79 SIRT2 (0.51) HPGDALDH1A1PKMPSMD14STAMBP
SCHEMBL1033554 0.79 SCN9A (0.53) HPGDALDH1A1PKMNPC1RAB9A
SCHEMBL1032586 0.77 SIRT2 (0.51) HPGDALDH1A1PKMNPC1RAB9A

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 8 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
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
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US 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
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 HPGD 359/4885ALDH1A1 2326/4885PKM 1721/4885

“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.