SCHEMBL2149342

SCHEMBL2149342

O=c1cc(-c2cccnc2)oc2c([N+](=O)[O-])cccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 5/20 0.61
CYP1A2 P05177 5/20 0.61
CYP1B1 Q16678 5/20 0.61
KDM4E B2RXH2 3/20 0.61
KMT2A Q03164 2/20 0.61
PRKDC P78527 2/20 0.61
GPR35 Q9HC97 1/20 0.52
MAOA P21397 1/20 0.49
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.43
CFTR P13569 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43

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
SCHEMBL31632516 0.80 CYP1A1 (0.58) CYP1A1CYP1A2CYP1B1KDM4EKMT2A
SCHEMBL3696230 0.80 CYP1A1 (0.67) CYP1A1CYP1A2CYP1B1KDM4EKMT2A
SCHEMBL311974 0.79 CSNK2A2 (0.59) CYP1A1CYP1A2CYP1B1KDM4EKMT2A
SCHEMBL2534628 0.77 CYP1A1 (0.64) CYP1A1CYP1A2CYP1B1PRKDCGPR35
SCHEMBL31061509 0.76 CYP1A1 (1.00) CYP1A1CYP1A2CYP1B1KDM4EKMT2A
SCHEMBL31632351 0.75 CYP1A1 (0.49) CYP1A1CYP1A2CYP1B1KDM4EKMT2A
SCHEMBL2148896 0.74 ALDH1A1 (0.48) CYP1A1CYP1A2CYP1B1KDM4EKMT2A
SCHEMBL12556193 0.73 TERT (0.71) CYP1A1CYP1A2CYP1B1KDM4EKMT2A
SCHEMBL31632465 0.73 CYP1A2 (0.65) CYP1A1CYP1A2CYP1B1KDM4EKMT2A
SCHEMBL8122902 0.73 F2 (0.54) CYP1A2KDM4EKMT2AMAOAALDH1A1

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 13 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
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.