SCHEMBL2149269

SCHEMBL2149269

O=C(O)c1cccc2c(=O)cc(-c3cccc(C(F)(F)F)c3)oc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 5/20 0.65
CYP1A2 P05177 5/20 0.65
CYP1B1 Q16678 5/20 0.65
CYSLTR1 Q9Y271 5/20 0.59
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
CYP3A4 P08684 4/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2B6 P20813 2/20 0.45
CYP2E1 P05181 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2A6 P11509 1/20 0.45
CYP4B1 P13584 1/20 0.45
CYP3A5 P20815 1/20 0.45
CYP2A7 P20853 1/20 0.45
CYP3A7 P24462 1/20 0.45
CYP2F1 P24903 1/20 0.45
CYP2C18 P33260 1/20 0.45

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
SCHEMBL2149390 0.89 CYP1A2 (0.64) CYP1A1CYP1A2CYP1B1CYSLTR1KDM4E
SCHEMBL1516397 0.84 CYSLTR1 (0.78) CYP1A1CYP1A2CYP1B1CYSLTR1KDM4E
Hydrochloric Acid SCHEMBL10995142 0.83 CYSLTR1 (0.76) CYP1A1CYP1A2CYP1B1CYSLTR1KDM4E
SCHEMBL10986078 0.81 CYSLTR1 (0.62) CYP1A1CYP1A2CYP1B1CYSLTR1KDM4E
SCHEMBL10983495 0.81 CYP1A1 (0.63) CYP1A1CYP1A2CYP1B1CYSLTR1
SCHEMBL2149705 0.81 CYP1A1 (0.70) CYP1A1CYP1A2CYP1B1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL10988526 0.80 CYP1A1 (0.62) CYP1A1CYP1A2CYP1B1CYSLTR1
Hydrochloric Acid SCHEMBL10992568 0.80 CYSLTR1 (0.61) CYP1A1CYP1A2CYP1B1CYSLTR1KDM4E
SCHEMBL10995973 0.80 CYSLTR1 (0.71) CYP1A1CYP1A2CYP1B1CYSLTR1KDM4E
SCHEMBL12219997 0.79 CYP1A1 (0.55) CYP1A1CYP1A2CYP1B1CYSLTR1KDM4E

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105198872-A Chromenone analogs as sirtuin modulators SIRTRIS PHARMACEUTICALS INC 2015-12-30 CN disclosed
CN-102227417-B Chromenone analogs as sirtuin modulators SIRTRIS PHARMACEUTICALS, INC. (US) 2015-09-16 CN disclosed
US-20150148343-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS GlaxoSmithKline, LLC 2015-05-28 US disclosed
US-20150148343-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS GlaxoSmithKline, LLC 2015-05-28 US disclosed
US-20150148343-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS GlaxoSmithKline, LLC 2015-05-28 US disclosed
US-8987258-B2 Chromenone analogs as sirtuin modulators GLAXOSMITHKLINE LLC 2015-03-24 US disclosed
US-8987258-B2 Chromenone analogs as sirtuin modulators GLAXOSMITHKLINE LLC 2015-03-24 US disclosed
US-8987258-B2 Chromenone analogs as sirtuin modulators GLAXOSMITHKLINE LLC 2015-03-24 US disclosed
EP-2342188-B1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-07-30 EP disclosed
EP-2342188-B1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-07-30 EP disclosed
US-20110257174-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-20 US disclosed
US-20110257174-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-20 US disclosed
US-20110257174-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-20 US disclosed
EP-2342188-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-07-13 EP disclosed
WO-2010037127-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-04-01 WO disclosed
WO-2010037127-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-04-01 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 (2 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-20110257174-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CYP1A1 1724/4885CYP1A2 1857/4885CYP1B1 1112/4885
US-20150148343-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CYP1A1 1534/4885CYP1A2 1508/4885CYP1B1 928/4885

“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.