SCHEMBL15063508

SCHEMBL15063508

CCOc1cccc(CCc2nc3ccccc3[nH]2)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.61
▸ NPC1 O15118 5/20 0.61
▸ MAPT P10636 2/20 0.61
▸ SMN1; SMN2 Q16637 5/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ TP53 P04637 3/20 0.56
▸ TSHR P16473 1/20 0.51
▸ HTT P42858 3/20 0.51
▸ NTRK1 P04629 1/20 0.51
▸ LMNA P02545 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ DDAH1 O94760 1/20 0.50

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
SCHEMBL16369265 0.79 RAB9A (0.64) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL784574 0.77 RAB9A (1.00) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL30583066 0.77 RAB9A (1.00) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL15063517 0.77 RAB9A (0.69) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL10048497 0.77 MAPT (0.97) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL26113669 0.76 RAB9A (0.69) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL30902074 0.76 RAB9A (0.69) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL230157 0.75 POLB (0.84) RAB9ANPC1MAPTGAADDAH1
SCHEMBL29822900 0.75 SMN1; SMN2 (0.67) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL27681975 0.75 SMN1; SMN2 (0.67) RAB9ANPC1SMN1; SMN2ALDH1A1TP53

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 12 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-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
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
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 RAB9A 1550/4885NPC1 768/4885MAPT 2318/4885
US-20130172389-A1 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE BLOCKERS OF PERSISTENT SODIUM CURRENT SCN1B, CACNA1E, SCN2B RAB9A 1550/4885NPC1 768/4885MAPT 2318/4885
US-20160355485-A9 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE BLOCKERS OF PERSISTENT SODIUM CURRENT SCN1B, CACNA1E, SCN2B RAB9A 1550/4885NPC1 768/4885MAPT 2318/4885

“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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