SCHEMBL15063453

SCHEMBL15063453

CCOc1ccc2nc(COc3ccc(Cl)cc3)n(CC(C)C)c2c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 6/20 0.48
▸ MAPT P10636 6/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ PPARG P37231 2/20 0.44
▸ FFAR1 O14842 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ NPY1R P25929 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CNR2 P34972 1/20 0.42
▸ TLR7 Q9NYK1 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
SCHEMBL15063360 0.90 PPARG (0.51) TP53MAPTSMN1; SMN2POLBPPARG
SCHEMBL15082841 0.90 MAPT (0.55) TP53MAPTSMN1; SMN2POLBPPARG
SCHEMBL15082869 0.90 MAPT (0.55) TP53MAPTSMN1; SMN2POLBPPARG
SCHEMBL15063399 0.89 RAB9A (0.49) TP53MAPTSMN1; SMN2POLBPPARG
SCHEMBL15063498 0.88 PPARG (0.53) TP53MAPTSMN1; SMN2POLBPPARG
SCHEMBL15082840 0.84 MAPT (0.56) TP53MAPTSMN1; SMN2POLBPPARG
SCHEMBL15082843 0.84 MAPT (0.60) TP53MAPTSMN1; SMN2POLBPPARG
SCHEMBL15063496 0.84 PPARG (0.51) TP53MAPTSMN1; SMN2POLBPPARG
SCHEMBL15063676 0.83 TP53 (0.66) TP53MAPTSMN1; SMN2POLBFFAR1
SCHEMBL15063497 0.81 PPARG (0.48) TP53MAPTSMN1; SMN2POLBPPARG

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 10 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-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-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
US-20150011591-A1 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE BLOCKERS OF PERSISTENT SODIUM CURRENT ALLERGAN INC (US) 2015-01-08 — — US disclosed
US-8859780-B2 Benzimidazole derivatives as selective blockers of persistent sodium current ALLERGAN, INC. (US) 2014-10-14 — — US 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
US-20130172389-A1 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE BLOCKERS OF PERSISTENT SODIUM CURRENT ALLEGAN, INC. (US) 2013-07-04 — — US 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 TP53 4414/4885MAPT 2318/4885SMN1; SMN2 353/4885
US-20130172389-A1 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE BLOCKERS OF PERSISTENT SODIUM CURRENT SCN1B, CACNA1E, SCN2B TP53 4414/4885MAPT 2318/4885SMN1; SMN2 353/4885
US-20160355485-A9 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE BLOCKERS OF PERSISTENT SODIUM CURRENT SCN1B, CACNA1E, SCN2B TP53 4414/4885MAPT 2318/4885SMN1; SMN2 353/4885

“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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