SCHEMBL20744505

SCHEMBL20744505

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

nearest known ligand 0.52

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
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MTOR P42345 1/20 0.44
▸ RAF1 P04049 2/20 0.41
▸ BRAF P15056 1/20 0.41
▸ NTRK1 P04629 1/20 0.41
▸ NTRK2 Q16620 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ LMNA P02545 3/20 0.40
▸ FFAR2 O15552 1/20 0.40
▸ TEAD4 Q15561 1/20 0.39
▸ GPR139 Q6DWJ6 1/20 0.39
▸ PTGFR P43088 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 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
SCHEMBL30645021 1.00 ITGA5 (0.45) ITGA5ITGB6ITGB8SMN1; SMN2HTT
SCHEMBL19283713 0.87 ITGA5 (0.46) ITGA5ITGB6ITGB8SMN1; SMN2HTT
SCHEMBL19283712 0.84 MTOR (0.50) ITGA5ITGB6ITGB8SMN1; SMN2HTT
SCHEMBL19283585 0.83 MTOR (0.47) ITGA5ITGB6ITGB8SMN1; SMN2HTT
SCHEMBL20743022 0.82 KLRK1 (0.49) ITGA5ITGB6ITGB8SMN1; SMN2HTT
SCHEMBL30645134 0.82 ITGA5 (0.47) ITGA5ITGB6ITGB8SMN1; SMN2NPC1
SCHEMBL20743177 0.82 ITGA5 (0.47) ITGA5ITGB6ITGB8SMN1; SMN2NPC1
SCHEMBL19283521 0.80 ITGA5 (0.42) ITGA5ITGB6ITGB8SMN1; SMN2HTT
SCHEMBL19284046 0.80 ITGA5 (0.43) ITGA5ITGB6ITGB8SMN1; SMN2NPC1
SCHEMBL19283548 0.80 ITGA5 (0.43) ITGA5ITGB6ITGB8SMN1; SMN2HTT

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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