SCHEMBL1033355

SCHEMBL1033355

O=C(Nc1nc2ccccc2s1)c1cccc2ccc(-c3cccnc3)nc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.61
CNR1 P21554 1/20 0.60
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
PKM P14618 3/20 0.55
HTT P42858 1/20 0.55
BCL2L1 Q07817 1/20 0.54
ALDH1A1 P00352 3/20 0.53
PAX8 Q06710 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
PIK3CA P42336 1/20 0.49
PIK3CG P48736 1/20 0.49
CASP3 P42574 2/20 0.49
SENP8 Q96LD8 2/20 0.49
SENP7 Q9BQF6 2/20 0.49
SENP6 Q9GZR1 2/20 0.49
TMIGD3 P0DMS9 1/20 0.49

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
SCHEMBL1034077 0.83 RAB9A (0.53) NPC1RAB9ASMN1; SMN2PKMHTT
SCHEMBL1034646 0.83 BCL2L1 (0.55) SCDCNR1NPC1RAB9ASMN1; SMN2
SCHEMBL1031321 0.81 ALDH1A1 (0.52) NPC1RAB9ASMN1; SMN2PKMALDH1A1
SCHEMBL1031951 0.81 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2PKMALDH1A1
SCHEMBL1033853 0.81 NPC1 (0.52) NPC1RAB9ASMN1; SMN2PKMHTT
SCHEMBL1075622 0.80 AQP4 (0.57) NPC1RAB9ASMN1; SMN2PKMALDH1A1
SCHEMBL1031934 0.79 EGLN1 (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL1033594 0.79 MAPT (0.62) NPC1RAB9ASMN1; SMN2PKMHTT
SCHEMBL1031618 0.79 LRRK2 (0.60) CNR1NPC1RAB9ASMN1; SMN2BCL2L1
SCHEMBL1034242 0.78 ALDH1A1 (0.54) NPC1RAB9AHTTALDH1A1CASP3

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 SCD 885/4885CNR1 1971/4885NPC1 3386/4885

“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.