SCHEMBL20792208

SCHEMBL20792208

NCC(Nc1nc2ccccc2[nH]1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.47
▸ ITGA5 P08648 1/20 0.44
▸ ITGB6 P18564 1/20 0.44
▸ ITGB8 P26012 1/20 0.44
▸ MTOR P42345 1/20 0.43
▸ DYRK1A Q13627 1/20 0.40
▸ DYRK1B Q9Y463 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ NTRK2 Q16620 1/20 0.40
▸ TEAD4 Q15561 1/20 0.40
▸ PDPK1 O15530 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37

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
Hydrochloric Acid SCHEMBL30411743 0.99 PNMT (0.46) PNMTITGA5ITGB6ITGB8MTOR
Hydrochloric Acid SCHEMBL22321392 0.99 PNMT (0.46) PNMTITGA5ITGB6ITGB8MTOR
SCHEMBL22188672 0.86 ITGA5 (0.44) PNMTITGA5ITGB6ITGB8MTOR
SCHEMBL30645125 0.86 ITGA5 (0.44) PNMTITGA5ITGB6ITGB8MTOR
SCHEMBL23679179 0.85 SLC6A2 (0.47) ITGA5ITGB6ITGB8MTORDYRK1A
SCHEMBL19283613 0.85 ITGB6 (0.55) ITGA5ITGB6ITGB8MTORNTRK1
SCHEMBL20764657 0.83 ITGA5 (0.41) PNMTITGA5ITGB6ITGB8MTOR
SCHEMBL30412413 0.83 ITGA5 (0.41) PNMTITGA5ITGB6ITGB8MTOR
SCHEMBL20743761 0.82 NPC1 (0.47) ITGA5ITGB6ITGB8MTORNTRK1
SCHEMBL19283637 0.82 ITGA5 (0.47) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 PNMT 4025/4885ITGA5 3438/4885ITGB6 3377/4885
US-11168074-B2 Potassium channel inhibitors KCNN2, KCNJ2, KCNN1 PNMT 3299/4885ITGA5 2901/4885ITGB6 2859/4885

“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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