SCHEMBL20743024

SCHEMBL20743024

CNC(=O)CCC(Nc1nc2ccccc2[nH]1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGA5 P08648 1/20 0.45
▸ ITGB6 P18564 1/20 0.45
▸ ITGB8 P26012 1/20 0.45
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ MTOR P42345 1/20 0.44
▸ SOS1 Q07889 2/20 0.42
▸ NTRK1 P04629 1/20 0.42
▸ NTRK2 Q16620 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SPHK2 Q9NRA0 1/20 0.41
▸ SPHK1 Q9NYA1 1/20 0.41
▸ RAF1 P04049 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ TEAD4 Q15561 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL20743761 0.91 NPC1 (0.47) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL30645019 0.91 NPC1 (0.47) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL20743289 0.89 ITGA5 (0.45) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL23679179 0.86 SLC6A2 (0.47) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL20764688 0.86 ITGA5 (0.46) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL30410775 0.86 ITGA5 (0.46) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL20764661 0.84 ITGA5 (0.43) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL20792438 0.84 ITGA5 (0.47) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL30412293 0.84 ITGA5 (0.47) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL30411814 0.84 ITGA5 (0.43) ITGA5ITGB6ITGB8NPC1RAB9A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111344281-B Potassium channel inhibitors substituted benzimidazoles 阿塞西翁制药公司 2023-11-14 — — CN claimed
US-20200216398-A1 NOVEL POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2020-07-09 — — US claimed
CN-111344281-A Potassium channel inhibitors of substituted benzimidazoles 阿塞西翁制药公司 2020-06-26 — — CN claimed
EP-3668841-A1 SUBSTITUTED BENZIMIDAZOLES AS POTASSIUM CHANNEL INHIBITORS Acesion Pharma ApS (DK) 2020-06-24 — — EP claimed
WO-2019034603-A1 SUBSTITUTED BENZIMIDAZOLES AS POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2019-02-21 — — WO claimed
CN-111344281-B Potassium channel inhibitors substituted benzimidazoles 阿塞西翁制药公司 2023-11-14 — — CN disclosed
US-20200216398-A1 NOVEL POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2020-07-09 — — US disclosed
US-20200216398-A1 NOVEL POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2020-07-09 — — US disclosed
CN-111344281-A Potassium channel inhibitors of substituted benzimidazoles 阿塞西翁制药公司 2020-06-26 — — CN disclosed
EP-3668841-A1 SUBSTITUTED BENZIMIDAZOLES AS POTASSIUM CHANNEL INHIBITORS Acesion Pharma ApS (DK) 2020-06-24 — — EP disclosed
WO-2019034603-A1 SUBSTITUTED BENZIMIDAZOLES AS POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2019-02-21 — — 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 (1 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-20200216398-A1 NOVEL POTASSIUM CHANNEL INHIBITORS KCNN1, KCNN2, KCNJ2 ITGA5 3438/4885ITGB6 3377/4885ITGB8 3800/4885

“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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