SCHEMBL20764702

SCHEMBL20764702

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGA5 P08648 1/20 0.46
▸ ITGB6 P18564 1/20 0.46
▸ ITGB8 P26012 1/20 0.46
▸ MTOR P42345 1/20 0.44
▸ NTRK1 P04629 1/20 0.41
▸ NTRK2 Q16620 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ RAF1 P04049 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ TEAD4 Q15561 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ LPAR2 Q9HBW0 1/20 0.38

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
SCHEMBL20792633 0.93 ITGA5 (0.42) ITGA5ITGB6ITGB8MTORKCNH2
SCHEMBL30410775 0.91 ITGA5 (0.46) ITGA5ITGB6ITGB8MTORNTRK1
SCHEMBL20764688 0.91 ITGA5 (0.46) ITGA5ITGB6ITGB8MTORNTRK1
SCHEMBL23679179 0.85 SLC6A2 (0.47) ITGA5ITGB6ITGB8MTORNTRK1
SCHEMBL20792438 0.85 ITGA5 (0.47) ITGA5ITGB6ITGB8MTORNTRK1
SCHEMBL30412293 0.85 ITGA5 (0.47) ITGA5ITGB6ITGB8MTORNTRK1
SCHEMBL19283611 0.84 ITGA5 (0.46) ITGA5ITGB6ITGB8MTORNTRK1
SCHEMBL20743289 0.84 ITGA5 (0.45) ITGA5ITGB6ITGB8MTORNTRK1
SCHEMBL20743024 0.84 ITGA5 (0.45) ITGA5ITGB6ITGB8MTORNTRK1
SCHEMBL19283613 0.83 ITGB6 (0.55) ITGA5ITGB6ITGB8MTORNTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111372928-B Benzimidazole derivatives as potassium channel inhibitors 阿塞西翁制药公司 2023-05-16 — — CN claimed
US-11168074-B2 Potassium channel inhibitors ACESION PHARMA APS (DK) 2021-11-09 — — US claimed
EP-3672953-B1 BENZIMIDAZOLE DERIVATIVES USEFUL AS POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2021-07-28 — — EP claimed
US-20200255409-A1 NOVEL POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2020-08-13 — — US claimed
EP-3672953-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS POTASSIUM CHANNEL INHIBITORS Acesion Pharma ApS (DK) 2020-07-01 — — EP claimed
WO-2019038315-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2019-02-28 — — WO claimed
CN-111372928-B Benzimidazole derivatives as potassium channel inhibitors 阿塞西翁制药公司 2023-05-16 — — CN disclosed
US-11168074-B2 Potassium channel inhibitors ACESION PHARMA APS (DK) 2021-11-09 — — US disclosed
US-11168074-B2 Potassium channel inhibitors ACESION PHARMA APS (DK) 2021-11-09 — — US disclosed
EP-3672953-B1 BENZIMIDAZOLE DERIVATIVES USEFUL AS POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2021-07-28 — — EP disclosed
US-20200255409-A1 NOVEL POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2020-08-13 — — US disclosed
US-20200255409-A1 NOVEL POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2020-08-13 — — US disclosed
CN-111372928-A Benzimidazole derivatives as potassium channel inhibitors 阿塞西翁制药公司 2020-07-03 — — CN disclosed
EP-3672953-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS POTASSIUM CHANNEL INHIBITORS Acesion Pharma ApS (DK) 2020-07-01 — — EP disclosed
WO-2019038315-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2019-02-28 — — 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 (2 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-20200255409-A1 NOVEL POTASSIUM CHANNEL INHIBITORS KCNN1, KCNN2, KCNJ2 ITGA5 3438/4885ITGB6 3377/4885ITGB8 3800/4885
US-11168074-B2 Potassium channel inhibitors KCNN2, KCNJ2, KCNN1 ITGA5 2901/4885ITGB6 2859/4885ITGB8 3577/4885

“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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