SCHEMBL1032586

SCHEMBL1032586

O=C(Nc1nccs1)c1cccc2ccc(-c3cccc(OC(F)(F)F)c3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.51
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
MPL P40238 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
HPGD P15428 3/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
DHODH Q02127 2/20 0.45
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SCN9A Q15858 1/20 0.44
EGFR P00533 1/20 0.44
FGFR1 P11362 1/20 0.44
KDR P35968 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
SCHEMBL1031038 0.87 LMNA (0.48) SIRT2RAB9ANPC1MPLMEN1
SCHEMBL1029917 0.86 EGFR (0.54) SIRT2RAB9ANPC1MPLMEN1
SCHEMBL1034835 0.86 SIRT2 (0.51) SIRT2RAB9ANPC1MPLMEN1
SCHEMBL1036232 0.83 SIRT2 (0.50) SIRT2RAB9ANPC1MPLMEN1
SCHEMBL1034301 0.83 HPGD (0.60) SIRT2RAB9ANPC1MEN1KMT2A
SCHEMBL1032167 0.83 MEN1 (0.48) SIRT2RAB9ANPC1MPLMEN1
SCHEMBL4547978 0.83 DHODH (0.44) SIRT2RAB9ANPC1MPLMEN1
SCHEMBL1033187 0.82 ABL1 (0.47) MEN1KMT2ADHODHHTTSMN1; SMN2
SCHEMBL1031180 0.82 SIRT2 (0.51) SIRT2RAB9ANPC1MEN1KMT2A
SCHEMBL12673181 0.82 DHODH (0.59) SIRT2RAB9ANPC1MEN1KMT2A

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 SIRT2 3/4885RAB9A 660/4885NPC1 3386/4885

“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.