SCHEMBL12219989

SCHEMBL12219989

O=C(Nc1cccc2c(=O)cc(-c3ccccc3)oc12)c1cscn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 12/20 0.53
▸ GPR55 Q9Y2T6 1/20 0.46
▸ CYP1A1 P04798 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP1B1 Q16678 2/20 0.45
▸ PIM1 P11309 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ CYP19A1 P11511 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ ADORA1 P30542 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ PDE5A O76074 1/20 0.44
▸ ABCB1 P08183 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44

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
SCHEMBL12220022 0.91 GPR35 (0.53) GPR35GPR55CYP1A2PIM1ALDH1A1
SCHEMBL12220019 0.90 GPR35 (0.47) GPR35GPR55PIM1CYSLTR2CYSLTR1
SCHEMBL2149722 0.89 CYP1A1 (0.49) GPR35CYP1A1CYP1A2CYP1B1PIM1
SCHEMBL12220018 0.88 GPR35 (0.56) GPR35CYP1A1CYP1A2CYP1B1CYP3A4
SCHEMBL2148932 0.88 CYP1A1 (0.51) GPR35CYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL12220125 0.87 MAPT (0.52) GPR35CYP1A1CYP1A2CYP1B1PIM1
SCHEMBL12220013 0.87 GPR35 (0.43) GPR35ALDH1A1CYSLTR2CYSLTR1
SCHEMBL12220166 0.87 GPR35 (0.48) GPR35GPR55PIM1CYSLTR2CYSLTR1
SCHEMBL12220086 0.86 GPR35 (0.48) GPR35GPR55PIM1KDM4EALDH1A1
SCHEMBL12220021 0.86 GPR35 (0.48) GPR35GPR55PIM1MAPTHPGD

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 8 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-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
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 GPR35 866/4885GPR55 1690/4885CYP1A1 1724/4885
US-20150148343-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GPR35 627/4885GPR55 1041/4885CYP1A1 1534/4885

“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.

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