SCHEMBL15063497

SCHEMBL15063497

CCOc1cccc(OCc2nc3ccc(O)cc3n2CC(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.48
▸ MAPT P10636 6/20 0.47
▸ GAA P10253 1/20 0.47
▸ CNR2 P34972 1/20 0.46
▸ TP53 P04637 9/20 0.46
▸ POLB P06746 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ THRB P10828 1/20 0.44
▸ FFAR1 O14842 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL15063498 0.92 PPARG (0.53) PPARGMAPTGAATP53POLB
SCHEMBL15063432 0.91 TP53 (0.55) PPARGMAPTGAATP53POLB
SCHEMBL15082840 0.88 MAPT (0.56) PPARGMAPTGAATP53POLB
SCHEMBL15082869 0.86 MAPT (0.55) PPARGMAPTGAATP53POLB
SCHEMBL15082863 0.86 MAPT (0.47) PPARGMAPTGAACNR2TP53
SCHEMBL15082843 0.86 MAPT (0.60) PPARGMAPTGAATP53POLB
SCHEMBL15082873 0.86 PPARG (0.55) PPARG
SCHEMBL15063360 0.85 PPARG (0.51) PPARGMAPTGAATP53POLB
SCHEMBL15063496 0.85 PPARG (0.51) PPARGMAPTGAATP53POLB
SCHEMBL15063518 0.84 PPARG (0.52) PPARGMAPTGAATP53POLB

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-9540332-B2 Benzimidazole derivatives as selective blockers of persistent sodium current ALLERGAN, INC. (US) 2017-01-10 — — US disclosed
US-20160355485-A9 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE BLOCKERS OF PERSISTENT SODIUM CURRENT ORGANIC SOLUTIONS, INC. 2016-12-08 — — US disclosed
US-20150011591-A1 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE BLOCKERS OF PERSISTENT SODIUM CURRENT ALLERGAN INC (US) 2015-01-08 — — US disclosed
EP-2809656-A2 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE BLOCKERS OF PERSISTENT SODIUM CURRENT ALLERGAN, INC. (US) 2014-12-10 — — EP disclosed
US-8859780-B2 Benzimidazole derivatives as selective blockers of persistent sodium current ALLERGAN, INC. (US) 2014-10-14 — — US disclosed
US-20130172389-A1 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE BLOCKERS OF PERSISTENT SODIUM CURRENT ALLEGAN, INC. (US) 2013-07-04 — — US disclosed
WO-2013101911-A2 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE BLOCKERS OF PERSISTENT SODIUM CURRENT ALLERGAN, INC. (US) 2013-07-04 — — 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 (3 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-20150011591-A1 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE BLOCKERS OF PERSISTENT SODIUM CURRENT SCN1B, CACNA1E, SCN2B PPARG 2671/4885MAPT 2318/4885GAA 3968/4885
US-20130172389-A1 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE BLOCKERS OF PERSISTENT SODIUM CURRENT SCN1B, CACNA1E, SCN2B PPARG 2671/4885MAPT 2318/4885GAA 3968/4885
US-20160355485-A9 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE BLOCKERS OF PERSISTENT SODIUM CURRENT SCN1B, CACNA1E, SCN2B PPARG 2671/4885MAPT 2318/4885GAA 3968/4885

“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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