SCHEMBL1034065

SCHEMBL1034065

O=C(Nc1ccccc1)c1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 11/20 0.53
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
LMNA P02545 1/20 0.52
P2RX1 P51575 1/20 0.52
PTGS1 P23219 1/20 0.51
PARP1 P09874 1/20 0.49
MAPT P10636 2/20 0.48
MAPK1 P28482 1/20 0.48
MAOB P27338 1/20 0.48
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL1034072 0.91 JAK2 (0.51) RXFP1CA12CA1CA2CA9
SCHEMBL1032356 0.89 CSF1R (0.54) RXFP1LMNAMAPTMEN1KMT2A
SCHEMBL1034305 0.86 KMO (0.49) RXFP1CA12CA1CA2CA9
SCHEMBL1035548 0.86 PARP1 (0.65) LMNAPARP1MAPTMEN1HTT
SCHEMBL1033871 0.85 FGFR4 (0.51) RXFP1PARP1MAPTMEN1RAB9A
SCHEMBL1031016 0.85 USP2 (0.56) MAPTMAPK1MEN1RAB9AKMT2A
SCHEMBL1033800 0.85 KMO (0.47) RXFP1CA12CA1CA2CA9
SCHEMBL1052702 0.85 KCNQ3 (0.60) RXFP1CA12CA1CA2CA9
SCHEMBL1035363 0.85 KMO (0.57) LMNAPTGS1PARP1MEN1KMT2A
SCHEMBL1033187 0.84 ABL1 (0.47) P2RX1PARP1MEN1HTTKMT2A

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 RXFP1 465/4885CA12 4870/4885CA1 4836/4885

“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.