SCHEMBL12220074

SCHEMBL12220074

O=C(Nc1cccc2c(=O)cc(-c3ccccc3C(F)(F)F)oc12)c1cncs1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 10/20 0.47
▸ P2RY1 P47900 1/20 0.44
▸ RECQL P46063 1/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41
▸ GRM5 P41594 1/20 0.40
▸ 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
SCHEMBL12220062 0.86 GPR35 (0.50) GPR35P2RY1NPC1RAB9AKMT2A
SCHEMBL12220059 0.85 GPR35 (0.56) GPR35P2RY1RAB9AGPR55
SCHEMBL12220069 0.84 GPR35 (0.48) GPR35P2RY1KMT2ATSHRALDH1A1
SCHEMBL12220047 0.83 GPR35 (0.47) GPR35P2RY1NPC1RAB9AKMT2A
SCHEMBL2148964 0.83 GPR35 (0.46) GPR35P2RY1RECQLNPC1RAB9A
SCHEMBL12220067 0.83 SMN1; SMN2 (0.50) GPR35P2RY1NPC1RAB9AKMT2A
SCHEMBL12220045 0.83 GPR35 (0.46) GPR35P2RY1RECQLNPC1RAB9A
SCHEMBL12220046 0.82 GPR35 (0.44) GPR35P2RY1RECQLNPC1RAB9A
SCHEMBL12220093 0.82 P2RY1 (0.43) GPR35P2RY1NPC1RAB9AKMT2A
SCHEMBL12220079 0.80 GPR35 (0.44) GPR35P2RY1RECQLNPC1RAB9A

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 866/4885P2RY1 1285/4885RECQL 916/4885
US-20150148343-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GPR35 627/4885P2RY1 779/4885RECQL 968/4885

“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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