SCHEMBL12220069

SCHEMBL12220069

O=C(Nc1cccc2c(=O)cc(-c3ccccc3C(F)(F)F)oc12)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 3/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ SCN5A Q14524 4/20 0.47
▸ SCN9A Q15858 4/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CSF1R P07333 2/20 0.44
▸ BRAF P15056 1/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ P2RY1 P47900 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ABCC9 O60706 1/20 0.43
▸ ABCC8 Q09428 1/20 0.43
▸ KCNJ11 Q14654 1/20 0.43
▸ KCNJ8 Q15842 1/20 0.43

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 0.91 GPR35 (0.50) GPR35TSHRKMT2ABRAFP2RY1
SCHEMBL12220059 0.90 GPR35 (0.56) GPR35RXFP1P2RY1
SCHEMBL12220067 0.86 SMN1; SMN2 (0.50) GPR35ALDH1A1L3MBTL1MEN1TSHR
SCHEMBL12220047 0.85 GPR35 (0.47) GPR35ALDH1A1TSHRKMT2AP2RY1
SCHEMBL12220074 0.84 GPR35 (0.47) GPR35ALDH1A1TSHRKMT2AP2RY1
SCHEMBL12220045 0.84 GPR35 (0.46) GPR35ALDH1A1MEN1TSHRKMT2A
SCHEMBL12220017 0.83 TSHR (0.54) GPR35ALDH1A1SCN5ASCN9ARXFP1
SCHEMBL12220046 0.83 GPR35 (0.44) GPR35ALDH1A1MEN1TSHRKMT2A
SCHEMBL12220075 0.83 GPR35 (0.46) GPR35P2RY1
SCHEMBL12220058 0.81 GPR35 (0.44) GPR35ALDH1A1TSHRKMT2AP2RY1

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 866/4885ALDH1A1 2249/4885SCN5A 3918/4885
US-20150148343-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GPR35 627/4885ALDH1A1 1980/4885SCN5A 3399/4885

“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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