SCHEMBL1075258

SCHEMBL1075258

Cc1cccc(NC(=O)c2cccc3ccc(-c4cccc(N5CCOCC5)c4)nc23)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
NPC1 O15118 3/20 0.45
ATR Q13535 1/20 0.45
CHRNA7 P36544 3/20 0.44
CHRNA10 Q9GZZ6 3/20 0.44
CHRNA9 Q9UGM1 3/20 0.44
POLQ O75417 1/20 0.44
TRPV3 Q8NET8 1/20 0.43
PKM P14618 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
GRM5 P41594 1/20 0.43
F10 P00742 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL1035334 0.91 POLQ (0.44) RAB9AMAPTNPC1ATRPOLQ
SCHEMBL1077063 0.87 ATR (0.49) RAB9AALDH1A1NPC1ATRCHRNB2
SCHEMBL1076266 0.86 SIRT2 (0.46) RAB9ANPC1ATRPOLQTRPV3
SCHEMBL1034084 0.85 ATR (0.45) RAB9AMAPTNPC1ATRPOLQ
SCHEMBL1076548 0.85 POLQ (0.47) RAB9AMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL1035188 0.84 CHRNB2 (0.46) RAB9ANPC1ATRCHRNB2CHRNB4
SCHEMBL1076409 0.84 NPC1 (0.46) RAB9AMAPTALDH1A1NPC1ATR
SCHEMBL1032623 0.84 ATR (0.47) RAB9ANPC1ATRPOLQF10
SCHEMBL1077048 0.83 NPSR1 (0.53) RAB9AMAPTNPC1ATR
SCHEMBL1033121 0.83 F10 (0.62) RAB9ANPC1ATRF10

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 RAB9A 660/4885MAPT 903/4885ALDH1A1 2326/4885

“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.