SCHEMBL1031275

SCHEMBL1031275

O=C(Nc1nccs1)c1cccc2cc(C(F)(F)F)c(-c3ccccc3)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
LMNA P02545 3/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.49
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.48
METAP2 P50579 1/20 0.48
METAP1 P53582 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 1/20 0.46
MAPK8 P45983 1/20 0.46
PKM P14618 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL1032210 0.85 NPC1 (0.56) CYP1A2MAPTHPGDALDH1A1MEN1
SCHEMBL1035659 0.82 CHRNB2 (0.52) ALDH1A1MEN1KMT2ASIRT2NPC1
SCHEMBL1034675 0.79 ALDH1A1 (0.50) LMNAMAPTHPGDALDH1A1MEN1
SCHEMBL1033862 0.78 CYP1A2 (0.49) CYP1A2LMNAMAPTHPGDALDH1A1
Bromide SCHEMBL27908387 0.78 CYP1A2 (0.66) CYP1A2LMNAHPGDALDH1A1MEN1
SCHEMBL1034301 0.78 HPGD (0.60) CYP1A2LMNAMAPTHPGDALDH1A1
SCHEMBL1034835 0.77 SIRT2 (0.51) CYP1A2LMNAMAPTHPGDALDH1A1
SCHEMBL11619593 0.77 LMNA (0.47) LMNAMAPTHPGDALDH1A1MEN1
SCHEMBL1035120 0.77 SIRT2 (0.48) CYP1A2LMNAMAPTHPGDALDH1A1
SCHEMBL1033554 0.75 SCN9A (0.53) CYP1A2LMNAMAPTHPGDALDH1A1

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 CYP1A2 2055/4885LMNA 3200/4885MAPT 903/4885

“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.