SCHEMBL2529900

SCHEMBL2529900

Nc1cccc2c(=O)cc(-c3cccnc3C(F)(F)F)oc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 8/20 0.43
CYP1B1 Q16678 8/20 0.43
CYP1A2 P05177 6/20 0.42
HPGD P15428 4/20 0.41
MAPT P10636 4/20 0.41
CYP3A4 P08684 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
PRKDC P78527 1/20 0.40
CYP2C19 P33261 2/20 0.38
TSHR P16473 1/20 0.38
LCK P06239 1/20 0.37
DHODH Q02127 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL15906681 0.83 CYP1A1 (0.38) CYP1A1CYP1B1CYP1A2HPGDMAPT
SCHEMBL2149236 0.83 CYSLTR1 (0.49) CYP1A1CYP1B1CYP1A2HPGDMAPT
SCHEMBL2148896 0.82 ALDH1A1 (0.48) CYP1A1CYP1B1CYP1A2HPGDMAPT
SCHEMBL28822758 0.80 CYP1A2 (0.40) CYP1A1CYP1B1CYP1A2HPGDMAPT
SCHEMBL2149106 0.80 HPGD (0.47) CYP1A1CYP1B1CYP1A2HPGDMAPT
SCHEMBL28822757 0.79 CYP3A4 (0.48) CYP1A1CYP1B1CYP1A2HPGDMAPT
SCHEMBL2148915 0.79 KDM4E (0.43) CYP1A1CYP1B1CYP1A2HPGDMAPT
SCHEMBL2148858 0.74 SMN1; SMN2 (0.47) CYP1A2MAPTCYP3A4ALDH1A1CYP2C19
SCHEMBL12220171 0.74 GPR35 (0.44) MEN1KMT2ANPC1
SCHEMBL3695062 0.73 CYP3A4 (0.53) CYP1A1CYP1B1CYP1A2HPGDMAPT

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 11 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
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
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 1724/4885CYP1B1 1112/4885CYP1A2 1857/4885
US-20150148343-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CYP1A1 1534/4885CYP1B1 928/4885CYP1A2 1508/4885

“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.