SCHEMBL12220119

SCHEMBL12220119

O=C(Nc1cccc2c(=O)cc(-c3cccc(F)c3F)oc12)c1cscn1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 9/20 0.45
▸ GRM1 Q13255 1/20 0.40
▸ CYP1A1 P04798 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ PRKDC P78527 1/20 0.40
▸ CYP1B1 Q16678 1/20 0.40
▸ CYSLTR2 Q9NS75 6/20 0.39
▸ CYSLTR1 Q9Y271 6/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ PLA2G7 Q13093 1/20 0.38

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
SCHEMBL12220116 0.93 GPR35 (0.48) GPR35GRM1CYP1A1CYP1A2PRKDC
SCHEMBL12220141 0.92 GPR35 (0.44) GPR35GRM1CYP1A1CYP1A2PRKDC
SCHEMBL12220179 0.89 GPR35 (0.47) GPR35CYSLTR2CYSLTR1PIM1GPR55
SCHEMBL15906690 0.88 CYSLTR2 (0.42) GPR35CYSLTR2CYSLTR1
SCHEMBL12220120 0.88 GPR35 (0.44) GPR35GRM1CYSLTR2CYSLTR1MEN1
SCHEMBL12220125 0.87 MAPT (0.52) GPR35GRM1CYP1A1CYP1A2CYP1B1
SCHEMBL12220121 0.86 GPR35 (0.44) GPR35GRM1CYSLTR2CYSLTR1MEN1
SCHEMBL12220021 0.86 GPR35 (0.48) GPR35GRM1CYSLTR2CYSLTR1MEN1
SCHEMBL12220086 0.86 GPR35 (0.48) GPR35GRM1CYSLTR2CYSLTR1PIM1
SCHEMBL2148964 0.85 GPR35 (0.46) GPR35GRM1CYSLTR2CYSLTR1MEN1

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 866/4885GRM1 2898/4885CYP1A1 1724/4885
US-20150148343-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GPR35 627/4885GRM1 2903/4885CYP1A1 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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