SCHEMBL1033372

SCHEMBL1033372

O=C(O)c1cccc2ncc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.62
KMO O15229 2/20 0.54
PIK3CD O00329 1/20 0.50
PIK3CA P42336 1/20 0.50
PIK3CG P48736 1/20 0.50
DHODH Q02127 2/20 0.47
ATR Q13535 1/20 0.47
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
CFTR P13569 1/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
XDH P47989 1/20 0.44
PIN1 Q13526 1/20 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
SCHEMBL1034874 0.83 PARP1 (0.62) PARP1DHODHALDH1A1KMT2AKDM4E
SCHEMBL1034851 0.82 DHODH (0.55) PARP1DHODHATRMEN1KMT2A
SCHEMBL1035363 0.81 KMO (0.57) PARP1KMODHODHALDH1A1MEN1
SCHEMBL1031211 0.81 PARP1 (0.52) PARP1KMOPIK3CDPIK3CAPIK3CG
SCHEMBL1034424 0.80 CSF1R (0.52) PARP1MEN1KMT2ACA12CA1
SCHEMBL1035300 0.79 LMNA (0.51) PARP1PIK3CDPIK3CAPIK3CGALDH1A1
SCHEMBL1077022 0.79 MPL (0.51) PARP1KMOPIK3CDPIK3CAPIK3CG
SCHEMBL14730878 0.77 NPC1 (0.60) KMOPIK3CDPIK3CAPIK3CGATR
SCHEMBL7107333 0.77 PARP1 (1.00) PARP1PARP2
SCHEMBL1035109 0.77 PARP1 (0.54) PARP1KMODHODHALDH1A1MEN1

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 4 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
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

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 PARP1 183/4885KMO 256/4885PIK3CD 2223/4885

“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.