SCHEMBL1035300

SCHEMBL1035300

O=C(Nc1nccs1)c1cccc2ncc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
PARP1 P09874 1/20 0.50
EGFR P00533 2/20 0.48
KDR P35968 2/20 0.48
FGFR1 P11362 1/20 0.48
PIK3CD O00329 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CG P48736 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
SCN9A Q15858 1/20 0.46
ALDH1A1 P00352 2/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
PPARG P37231 1/20 0.44
NR2E3 Q9Y5X4 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
SCHEMBL1034835 0.87 SIRT2 (0.51) LMNAMAPTHPGDEGFRKDR
SCHEMBL1031038 0.86 LMNA (0.48) LMNAMAPTHPGDEGFRKDR
SCHEMBL1034400 0.86 LMNA (0.64) LMNAMAPTHPGDMEN1KMT2A
SCHEMBL1031211 0.83 PARP1 (0.52) PARP1PIK3CDPIK3CAPIK3CGMEN1
SCHEMBL1034424 0.82 CSF1R (0.52) LMNAMAPTPARP1KDRMEN1
SCHEMBL1035120 0.82 SIRT2 (0.48) LMNAMAPTHPGDPARP1EGFR
SCHEMBL1033886 0.81 LMNA (0.47) LMNAMAPTHPGDEGFRKDR
SCHEMBL1077022 0.81 MPL (0.51) PARP1PIK3CDPIK3CAPIK3CGMPL
SCHEMBL1031208 0.81 SCN9A (0.48) LMNAMAPTHPGDEGFRKDR
SCHEMBL1935556 0.80 SCN9A (0.45) LMNAMAPTHPGDEGFRKDR

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 LMNA 3200/4885MAPT 903/4885HPGD 359/4885

“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.