SCHEMBL1033121

SCHEMBL1033121

O=C(Nc1ccc(Cl)cn1)c1cccc2ccc(-c3cccc(N4CCOCC4)c3)nc12

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.62
ATR Q13535 1/20 0.47
TRPV4 Q9HBA0 1/20 0.46
CAMK2D Q13557 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44

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
SCHEMBL1036251 0.90 F10 (0.50) F10ATRNPC1RAB9A
SCHEMBL1077063 0.87 ATR (0.49) F10ATRCAMK2DNPC1RAB9A
SCHEMBL1032623 0.85 ATR (0.47) F10ATRTRPV4CAMK2DNPC1
SCHEMBL1035188 0.85 CHRNB2 (0.46) F10ATRCAMK2DNPC1RAB9A
SCHEMBL1075258 0.83 RAB9A (0.47) F10ATRNPC1RAB9A
SCHEMBL1076266 0.82 SIRT2 (0.46) F10ATRCAMK2DNPC1RAB9A
SCHEMBL1035334 0.82 POLQ (0.44) F10ATRNPC1RAB9A
SCHEMBL1077048 0.81 NPSR1 (0.53) ATRCAMK2DNPC1RAB9A
SCHEMBL1077393 0.81 ATR (0.52) ATRCAMK2DNPC1RAB9A
SCHEMBL1035704 0.80 POLQ (0.51) F10ATRNPC1RAB9A

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 F10 1851/4885ATR 1057/4885TRPV4 3825/4885

“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.