SCHEMBL12220134

SCHEMBL12220134

O=C(Nc1cccc2c(=O)cc(-c3cnccc3C(F)(F)F)oc12)c1cscn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 8/20 0.43
▸ ROCK2 O75116 1/20 0.39
▸ CYSLTR2 Q9NS75 6/20 0.36
▸ CYSLTR1 Q9Y271 6/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ GPR55 Q9Y2T6 1/20 0.35

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
SCHEMBL2148964 0.90 GPR35 (0.46) GPR35CYSLTR2CYSLTR1SMN1; SMN2NPC1
SCHEMBL12220201 0.90 SMN1; SMN2 (0.47) GPR35CYSLTR2CYSLTR1SMN1; SMN2TSHR
SCHEMBL12220171 0.84 GPR35 (0.44) GPR35CYSLTR2CYSLTR1NPC1KMT2A
SCHEMBL12220067 0.82 SMN1; SMN2 (0.50) GPR35SMN1; SMN2NPC1RAB9ATSHR
SCHEMBL2149722 0.82 CYP1A1 (0.49) GPR35CYSLTR2CYSLTR1SMN1; SMN2NPC1
SCHEMBL12220018 0.81 GPR35 (0.56) GPR35CYSLTR2CYSLTR1NPC1RAB9A
SCHEMBL12220116 0.81 GPR35 (0.48) GPR35CYSLTR2CYSLTR1SMN1; SMN2NPC1
SCHEMBL2148932 0.81 CYP1A1 (0.51) GPR35CYSLTR2CYSLTR1SMN1; SMN2NPC1
SCHEMBL12220119 0.81 GPR35 (0.45) GPR35CYSLTR2CYSLTR1KMT2APIM1
SCHEMBL12220045 0.80 GPR35 (0.46) GPR35SMN1; SMN2NPC1RAB9ATSHR

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 866/4885ROCK2 1457/4885CYSLTR2 4133/4885
US-20150148343-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GPR35 627/4885ROCK2 1361/4885CYSLTR2 4037/4885

“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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