SCHEMBL12220016

SCHEMBL12220016

O=C(Nc1cccc2c(=O)cc(-c3cccc(C(F)(F)F)c3)oc12)c1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 2/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ CYP1B1 Q16678 2/20 0.56
▸ GPR35 Q9HC97 3/20 0.50
▸ BRAF P15056 1/20 0.49
▸ TLR7 Q9NYK1 3/20 0.49
▸ CSNK2A2 P19784 1/20 0.45
▸ CSNK2B P67870 1/20 0.45
▸ CSNK2A1 P68400 1/20 0.45
▸ CSNK2A3 Q8NEV1 1/20 0.45
▸ CES1 P23141 1/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ SRPK1 Q96SB4 1/20 0.42
▸ NPY5R Q15761 1/20 0.42
▸ POLB P06746 2/20 0.42
▸ ATM Q13315 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 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
SCHEMBL12219995 0.90 BRAF (0.51) CYP1A1CYP1A2CYP1B1GPR35BRAF
SCHEMBL2148932 0.88 CYP1A1 (0.51) CYP1A1CYP1A2CYP1B1GPR35TLR7
SCHEMBL12220045 0.83 GPR35 (0.46) GPR35BRAFPOLBNPSR1ALDH1A1
SCHEMBL12220008 0.83 CYP1A1 (0.55) CYP1A1CYP1A2CYP1B1GPR35TLR7
SCHEMBL12220017 0.83 TSHR (0.54) CYP1A1CYP1A2CYP1B1GPR35BRAF
SCHEMBL15906661 0.82 GPR35 (0.53) CYP1A1CYP1A2CYP1B1GPR35CSNK2A2
SCHEMBL12220010 0.82 MAPK10 (0.43) CYP1A1CYP1A2CYP1B1GPR35POLB
SCHEMBL12219997 0.82 CYP1A1 (0.55) CYP1A1CYP1A2CYP1B1TLR7CSNK2A2
SCHEMBL12220039 0.81 CYP1A2 (0.47) CYP1A1CYP1A2CYP1B1GPR35CSNK2A2
SCHEMBL15906680 0.81 CYSLTR2 (0.42) CYP1A1CYP1A2CYP1B1GPR35POLB

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 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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