SCHEMBL2149722

SCHEMBL2149722

O=C(Nc1cccc2c(=O)cc(-c3cccnc3)oc12)c1cscn1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 3/20 0.49
▸ CYP1A2 P05177 3/20 0.49
▸ CYP1B1 Q16678 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ PRKDC P78527 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ GPR35 Q9HC97 7/20 0.45
▸ IRAK4 Q9NWZ3 3/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ ATM Q13315 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYSLTR2 Q9NS75 1/20 0.39
▸ CYSLTR1 Q9Y271 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39

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
SCHEMBL12219989 0.89 GPR35 (0.53) CYP1A1CYP1A2CYP1B1KDM4EPRKDC
SCHEMBL12220008 0.88 CYP1A1 (0.55) CYP1A1CYP1A2CYP1B1KDM4EPRKDC
SCHEMBL12220009 0.88 SMN1; SMN2 (0.53) CYP1A1CYP1A2CYP1B1KDM4EPRKDC
SCHEMBL12220019 0.86 GPR35 (0.47) GPR35ATMCYSLTR2CYSLTR1POLB
SCHEMBL12220022 0.85 GPR35 (0.53) CYP1A2KMT2AGPR35RAB9ACYSLTR2
SCHEMBL2148932 0.83 CYP1A1 (0.51) CYP1A1CYP1A2CYP1B1KDM4EKMT2A
SCHEMBL12220013 0.83 GPR35 (0.43) GPR35ATMCYSLTR2CYSLTR1POLB
SCHEMBL12220166 0.82 GPR35 (0.48) GPR35NPC1RAB9ACYSLTR2CYSLTR1
SCHEMBL12220134 0.82 GPR35 (0.43) KMT2AGPR35NPC1RAB9ASMN1; SMN2
SCHEMBL12220018 0.82 GPR35 (0.56) CYP1A1CYP1A2CYP1B1KMT2AGPR35

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 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.

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