SCHEMBL2149106

SCHEMBL2149106

Nc1cccc2c(=O)cc(-c3ccccc3C(F)(F)F)oc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.47
MAPT P10636 6/20 0.47
CYP3A4 P08684 6/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 4/20 0.47
HSD17B10 Q99714 3/20 0.47
CYP1A2 P05177 5/20 0.46
CYP1A1 P04798 4/20 0.46
CYP1B1 Q16678 4/20 0.46
PRKDC P78527 3/20 0.46
CYP2C19 P33261 5/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
CYP2D6 P10635 4/20 0.42
CYP2C9 P11712 4/20 0.42
ALOX15 P16050 3/20 0.42
RECQL P46063 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
NPC1 O15118 3/20 0.42

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
SCHEMBL2148846 0.80 ALDH1A1 (0.55) HPGDMAPTCYP3A4ALDH1A1KDM4E
SCHEMBL2529900 0.80 CYP1A1 (0.43) HPGDMAPTCYP3A4ALDH1A1KDM4E
SCHEMBL3695062 0.80 CYP3A4 (0.53) HPGDMAPTCYP3A4ALDH1A1KDM4E
SCHEMBL21822792 0.79 CYP3A4 (0.62) HPGDMAPTCYP3A4ALDH1A1KDM4E
SCHEMBL2149705 0.76 CYP1A1 (0.70) HPGDMAPTCYP3A4ALDH1A1KDM4E
SCHEMBL21822841 0.76 ALDH1A1 (0.74) HPGDMAPTCYP3A4ALDH1A1KDM4E
SCHEMBL2149449 0.75 CYP3A4 (0.49) HPGDMAPTCYP3A4ALDH1A1KDM4E
SCHEMBL12220047 0.73 GPR35 (0.47) MAPTALDH1A1TSHRKMT2ATDP1
SCHEMBL12220059 0.73 GPR35 (0.56) RAB9APTGS1
SCHEMBL12220045 0.73 GPR35 (0.46) MAPTALDH1A1TSHRMEN1KMT2A

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 14 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
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 HPGD 344/4885MAPT 1209/4885CYP3A4 1905/4885
US-20150148343-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HPGD 295/4885MAPT 1321/4885CYP3A4 1641/4885

“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.