SCHEMBL3696230

SCHEMBL3696230

Nc1cccc2c(=O)cc(-c3cccnc3)oc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 8/20 0.67
CYP1A2 P05177 8/20 0.67
CYP1B1 Q16678 8/20 0.67
PRKDC P78527 5/20 0.67
KDM4E B2RXH2 4/20 0.67
KMT2A Q03164 2/20 0.67
POLB P06746 1/20 0.47
CFTR P13569 1/20 0.47
LCK P06239 1/20 0.45
ALDH1A1 P00352 2/20 0.45
TP53 P04637 2/20 0.45
CYP3A4 P08684 2/20 0.45
MAPT P10636 2/20 0.45
CYP2C9 P11712 2/20 0.45
HPGD P15428 2/20 0.45
MAPK1 P28482 2/20 0.45
CYP2C19 P33261 2/20 0.45
HSD17B10 Q99714 2/20 0.45
PDE5A O76074 1/20 0.45
ABCB1 P08183 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
SCHEMBL31632465 0.85 CYP1A2 (0.65) CYP1A1CYP1A2CYP1B1PRKDCKDM4E
SCHEMBL909747 0.85 CYP1A2 (0.64) CYP1A1CYP1A2CYP1B1PRKDCKDM4E
SCHEMBL31061509 0.80 CYP1A1 (1.00) CYP1A1CYP1A2CYP1B1PRKDCKDM4E
SCHEMBL2149342 0.80 CYP1A1 (0.61) CYP1A1CYP1A2CYP1B1PRKDCKDM4E
SCHEMBL31632516 0.79 CYP1A1 (0.58) CYP1A1CYP1A2CYP1B1PRKDCKDM4E
SCHEMBL31632237 0.78 CYP1A1 (0.56) CYP1A1CYP1A2CYP1B1PRKDCKDM4E
SCHEMBL12556193 0.77 TERT (0.71) CYP1A1CYP1A2CYP1B1PRKDCKDM4E
SCHEMBL1647031 0.77 TNKS (0.69) CYP1A1CYP1A2CYP1B1PRKDCKDM4E
SCHEMBL30742026 0.77 TNKS (0.69) CYP1A1CYP1A2CYP1B1PRKDCKDM4E
SCHEMBL30307582 0.77 TNKS (0.69) CYP1A1CYP1A2CYP1B1PRKDCKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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.