SCHEMBL12220018

SCHEMBL12220018

O=C(Nc1cccc2c(=O)cc(-c3ccc(C(F)(F)F)cc3)oc12)c1cscn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 8/20 0.56
▸ CYP1A1 P04798 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP1B1 Q16678 2/20 0.45
▸ CYP2E1 P05181 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C8 P10632 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2A6 P11509 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP4B1 P13584 1/20 0.45
▸ CYP2B6 P20813 1/20 0.45
▸ CYP3A5 P20815 1/20 0.45
▸ CYP2A7 P20853 1/20 0.45
▸ CYP3A7 P24462 1/20 0.45
▸ CYP2F1 P24903 1/20 0.45
▸ CYP2C18 P33260 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ CYP2J2 P51589 1/20 0.45
▸ CYP4F2 P78329 1/20 0.45

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
SCHEMBL2148932 0.92 CYP1A1 (0.51) GPR35CYP1A1CYP1A2CYP1B1CYP3A4
SCHEMBL12219989 0.88 GPR35 (0.53) GPR35CYP1A1CYP1A2CYP1B1CYP3A4
SCHEMBL12220022 0.88 GPR35 (0.53) GPR35CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2148964 0.84 GPR35 (0.46) GPR35CYSLTR2CYSLTR1MEN1NPC1
SCHEMBL12219992 0.84 GPR35 (0.42) GPR35CYP1A1CYP1A2CYP1B1AR
SCHEMBL12220019 0.83 GPR35 (0.47) GPR35CSNK2A2CSNK2BCSNK2A1CYSLTR2
SCHEMBL12220171 0.83 GPR35 (0.44) GPR35CYSLTR2CYSLTR1MEN1NPC1
SCHEMBL12220179 0.83 GPR35 (0.47) GPR35CYSLTR2CYSLTR1
SCHEMBL2149722 0.82 CYP1A1 (0.49) GPR35CYP1A1CYP1A2CYP1B1CYP2C9
SCHEMBL12220020 0.82 CYP1A1 (0.45) GPR35CYP1A1CYP1A2CYP1B1CYP3A4

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 866/4885CYP1A1 1724/4885CYP1A2 1857/4885
US-20150148343-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GPR35 627/4885CYP1A1 1534/4885CYP1A2 1508/4885

“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.

Send feedback