SCHEMBL12220020

SCHEMBL12220020

O=C(Nc1cccc2c(=O)cc(-c3ccc(N4CCOCC4)cc3)oc12)c1cscn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 2/20 0.45
▸ CYP1B1 Q16678 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ IRAK4 Q9NWZ3 1/20 0.44
▸ PIM1 P11309 1/20 0.44
▸ USP8 P40818 1/20 0.42
▸ PRKDC P78527 6/20 0.42
▸ GPR35 Q9HC97 2/20 0.42
▸ MAPK10 P53779 1/20 0.40
▸ MAPK14 Q16539 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ NTRK2 Q16620 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL12220001 0.93 CYP1A1 (0.54) CYP1A1CYP1B1CYP1A2IRAK4PIM1
SCHEMBL12220035 0.86 PIM1 (0.52) CYP1A2IRAK4PIM1PRKDCGPR35
SCHEMBL12219989 0.85 GPR35 (0.53) CYP1A1CYP1B1CYP1A2PIM1PRKDC
SCHEMBL12220022 0.85 GPR35 (0.53) CYP1A2PIM1GPR35CYP3A4CYP2C9
SCHEMBL12220018 0.82 GPR35 (0.56) CYP1A1CYP1B1CYP1A2GPR35CYP3A4
SCHEMBL12220003 0.82 CYP1A2 (0.59) CYP1A1CYP1B1CYP1A2IRAK4PIM1
SCHEMBL12220019 0.80 GPR35 (0.47) PIM1GPR35POLB
SCHEMBL12220007 0.80 CYP1A2 (0.55) CYP1A1CYP1B1CYP1A2IRAK4PRKDC
SCHEMBL2149722 0.79 CYP1A1 (0.49) CYP1A1CYP1B1CYP1A2IRAK4PIM1
SCHEMBL12220166 0.79 GPR35 (0.48) PIM1GPR35MAPK10

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 1724/4885CYP1B1 1112/4885CYP1A2 1857/4885
US-20150148343-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CYP1A1 1534/4885CYP1B1 928/4885CYP1A2 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