SCHEMBL1075622

SCHEMBL1075622

O=C(Nc1nncs1)c1cccc2ccc(-c3cccnc3)nc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP4 P55087 1/20 0.57
ALDH1A1 P00352 6/20 0.52
MAPT P10636 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
PKM P14618 1/20 0.52
KDM4E B2RXH2 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 3/20 0.47
HPGD P15428 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 2/20 0.43
PARP1 P09874 1/20 0.43
CYP2C9 P11712 1/20 0.41
GAA P10253 1/20 0.41

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 0.83 NPC1 (0.52) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL1034332 0.83 SCN9A (0.49) ALDH1A1MAPTTSHRHSD17B10HPGD
SCHEMBL1033594 0.82 MAPT (0.62) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL1031951 0.82 SMN1; SMN2 (0.53) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL1034842 0.81 SIRT2 (0.51) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL1031934 0.80 EGLN1 (0.60) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1034077 0.80 RAB9A (0.53) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL1033355 0.80 SCD (0.61) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL1031321 0.80 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL1034242 0.79 ALDH1A1 (0.54) ALDH1A1NPC1RAB9APARP1CYP2C9

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 AQP4 3328/4885ALDH1A1 2326/4885MAPT 903/4885

“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.