SCHEMBL1033554

SCHEMBL1033554

O=C(Nc1nccs1)c1cccc2ccc(-c3ccc(C(F)(F)F)cc3)nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.47
CYP1A2 P05177 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HTT P42858 2/20 0.47
HPGD P15428 2/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 2/20 0.47
PKM P14618 1/20 0.47
NPC1 O15118 5/20 0.46
RAB9A P51151 4/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FGFR4 P22455 1/20 0.46
MAPKAPK2 P49137 1/20 0.46
EGLN1 Q9GZT9 1/20 0.45
MAPK8 P45983 1/20 0.44
KDM4E B2RXH2 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 0.90 SIRT2 (0.51) SCN9ASIRT2CYP1A2MEN1KMT2A
SCHEMBL1034301 0.87 HPGD (0.60) SIRT2CYP1A2MEN1KMT2AHTT
SCHEMBL1033853 0.83 NPC1 (0.52) SIRT2CYP1A2MEN1KMT2AHTT
SCHEMBL1033862 0.83 CYP1A2 (0.49) SIRT2CYP1A2MEN1KMT2AHPGD
SCHEMBL1032586 0.82 SIRT2 (0.51) SCN9ASIRT2CYP1A2MEN1KMT2A
SCHEMBL1031023 0.81 FGFR4 (0.55) SIRT2MEN1KMT2AALDH1A1NPC1
SCHEMBL1031208 0.81 SCN9A (0.48) SCN9ASIRT2CYP1A2MEN1KMT2A
SCHEMBL1031180 0.80 SIRT2 (0.51) SIRT2CYP1A2MEN1KMT2AHTT
SCHEMBL1031182 0.80 SIRT2 (0.48) SIRT2CYP1A2MEN1KMT2AHTT
SCHEMBL12673240 0.80 PARP1 (0.61) SCN9ACYP1A2ALDH1A1NPC1RAB9A

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 3/4885CYP1A2 2055/4885

“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.