SCHEMBL12220050

SCHEMBL12220050

COc1ccccc1-c1cc(=O)c2cccc(NC(=O)c3cscn3)c2o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 5/20 0.56
▸ MAPT P10636 5/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ HPGD P15428 4/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ POLB P06746 1/20 0.49
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ GRM4 Q14833 1/20 0.47
▸ GPR35 Q9HC97 3/20 0.46
▸ CYP1A1 P04798 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP1B1 Q16678 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ TSHR P16473 2/20 0.43
▸ CYP2C19 P33261 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
SCHEMBL12220073 0.89 GPR35 (0.44) HSD17B10MAPTALDH1A1HPGDKDM4E
SCHEMBL12220086 0.88 GPR35 (0.48) ALDH1A1KDM4EGPR35RAB9ANPC1
SCHEMBL12220125 0.87 MAPT (0.52) MAPTHPGDKDM4EMEN1KMT2A
SCHEMBL12220135 0.86 GPR35 (0.48) GPR35
SCHEMBL12220021 0.86 GPR35 (0.48) MAPTHPGDMEN1KMT2AGPR35
SCHEMBL12220116 0.86 GPR35 (0.48) MAPTHPGDMEN1KMT2AGPR35
SCHEMBL12220049 0.85 ALDH1A1 (0.56) HSD17B10MAPTALDH1A1HPGDKDM4E
SCHEMBL2149240 0.85 GPR35 (0.45) MAPTGPR35
SCHEMBL12219989 0.84 GPR35 (0.53) HSD17B10MAPTALDH1A1HPGDKDM4E
SCHEMBL2148964 0.84 GPR35 (0.46) MAPTALDH1A1MEN1KMT2AGPR35

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 7 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
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 HSD17B10 376/4885MAPT 1209/4885ALDH1A1 2249/4885
US-20150148343-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HSD17B10 299/4885MAPT 1321/4885ALDH1A1 1980/4885

“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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