SCHEMBL1031208

SCHEMBL1031208

O=C(Nc1nccs1)c1cc(F)cc2ccc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.47
EGFR P00533 2/20 0.46
KDR P35968 2/20 0.46
FGFR1 P11362 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.44
PPARG P37231 1/20 0.44
NR2E3 Q9Y5X4 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
KMO O15229 1/20 0.43
PSMD14 O00487 1/20 0.43

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 0.90 SIRT2 (0.51) SCN9ASIRT2EGFRKDRFGFR1
SCHEMBL1033886 0.85 LMNA (0.47) SCN9ASIRT2EGFRKDRFGFR1
SCHEMBL1030619 0.85 SIRT2 (0.47) SCN9ASIRT2EGFRKDRFGFR1
SCHEMBL1035300 0.81 LMNA (0.51) SCN9ASIRT2EGFRKDRFGFR1
SCHEMBL1033554 0.81 SCN9A (0.53) SCN9ASIRT2LMNAMAPTHPGD
SCHEMBL1035376 0.80 CSF1R (0.52) SIRT2KDRLMNAMAPTMEN1
SCHEMBL1032240 0.78 KMO (0.55) MEN1KMT2AKMOALDH1A1
SCHEMBL1035120 0.78 SIRT2 (0.48) SCN9ASIRT2EGFRKDRFGFR1
SCHEMBL1032586 0.77 SIRT2 (0.51) SCN9ASIRT2EGFRKDRFGFR1
SCHEMBL16116464 0.77 GSK3A (0.49) SCN9ASIRT2EGFRKDRFGFR1

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 SCN9A 3526/4885SIRT2 3/4885EGFR 4745/4885

“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.