SCHEMBL2148885

SCHEMBL2148885

COC(=O)c1cccc(C(=O)CC(=O)c2ccncc2)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
PLOD2 O00469 4/20 0.53
PLOD3 O60568 4/20 0.53
PLOD1 Q02809 4/20 0.53
HPGD P15428 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HIF1A Q16665 1/20 0.53
NPC1 O15118 3/20 0.46
PKN1 Q16512 1/20 0.43
PKN2 Q16513 1/20 0.43
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 4/20 0.41
GAA P10253 2/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL30461641 0.79 PLOD2 (0.56) ALDH1A1PLOD2PLOD3PLOD1HPGD
SCHEMBL1538293 0.78 TSHR (0.65) ALDH1A1LMNATSHRL3MBTL1KDM4E
SCHEMBL8875029 0.77 TSHR (0.52) ALDH1A1LMNATSHRL3MBTL1KDM4E
SCHEMBL204144 0.76 HSD17B10 (0.54) ALDH1A1HPGDCYP1A2CYP2D6CYP2C19
SCHEMBL23092933 0.75 TSHR (0.50) ALDH1A1LMNATSHRL3MBTL1KDM4E
SCHEMBL12904305 0.75 HPGD (0.68) ALDH1A1PLOD2PLOD3PLOD1HPGD
SCHEMBL3694218 0.75 KDM4E (0.44) ALDH1A1LMNATSHRL3MBTL1KDM4E
SCHEMBL10948430 0.74 PLOD2 (0.83) ALDH1A1PLOD2PLOD3PLOD1HPGD
SCHEMBL9329926 0.73 NPC1 (0.68) ALDH1A1PLOD2PLOD3PLOD1HPGD
SCHEMBL1720792 0.72 KDM4E (0.56) ALDH1A1NPC1PKN1PKN2LMNA

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
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

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 ALDH1A1 2249/4885PLOD2 4204/4885PLOD3 4246/4885
US-20150148343-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALDH1A1 1980/4885PLOD2 4420/4885PLOD3 4515/4885

“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.