SCHEMBL12220128

SCHEMBL12220128

O=C(Nc1cccc2c(=O)cc(-c3ccccc3C(F)F)oc12)c1cscn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 9/20 0.46
▸ GRM1 Q13255 1/20 0.41
▸ PIM1 P11309 1/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ CYSLTR2 Q9NS75 4/20 0.38
▸ CYSLTR1 Q9Y271 4/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ ABCC4 O15439 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ AR P10275 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ PDE4A P27815 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
SCHEMBL12220135 0.92 GPR35 (0.48) GPR35GRM1GPR55CYSLTR2CYSLTR1
SCHEMBL12220116 0.88 GPR35 (0.48) GPR35GRM1PIM1GPR55MAPT
SCHEMBL12220125 0.87 MAPT (0.52) GPR35GRM1PIM1MAPTMEN1
SCHEMBL12220073 0.87 GPR35 (0.44) GPR35GRM1PIM1GPR55MAPT
SCHEMBL12220021 0.86 GPR35 (0.48) GPR35GRM1PIM1GPR55MAPT
SCHEMBL12220086 0.86 GPR35 (0.48) GPR35GRM1PIM1GPR55CYSLTR2
SCHEMBL2148964 0.85 GPR35 (0.46) GPR35GRM1PIM1GPR55MAPT
SCHEMBL12220131 0.85 SMN1; SMN2 (0.50) GPR35MAPTCYSLTR2CYSLTR1MEN1
SCHEMBL15906675 0.85 GPR35 (0.43) GPR35GRM1PIM1GPR55CYSLTR2
SCHEMBL12220119 0.85 GPR35 (0.45) GPR35GRM1PIM1GPR55CYSLTR2

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 2898/4885PIM1 3173/4885
US-20150148343-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GPR35 627/4885GRM1 2903/4885PIM1 3204/4885

“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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