SCHEMBL20743177

SCHEMBL20743177

O=C(NC1CC1)C(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 0.47
▸ ITGB6 P18564 1/20 0.47
▸ ITGB8 P26012 1/20 0.47
▸ NPC1 O15118 5/20 0.45
▸ RAB9A P51151 5/20 0.45
▸ MTOR P42345 1/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ LPAR2 Q9HBW0 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ SOS1 Q07889 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ NTRK2 Q16620 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ MCHR1 Q99705 1/20 0.39

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
SCHEMBL30645134 1.00 ITGA5 (0.47) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL19284046 0.92 ITGA5 (0.43) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL19283712 0.85 MTOR (0.50) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL19283585 0.82 MTOR (0.47) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL30645021 0.82 ITGA5 (0.45) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL20744505 0.82 ITGA5 (0.45) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL19283713 0.82 ITGA5 (0.46) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL19283810 0.82 KLRK1 (0.53) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL20743022 0.81 KLRK1 (0.49) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL21821288 0.81 KLRK1 (0.52) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200216398-A1 NOVEL POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2020-07-09 — — US 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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