SCHEMBL19283613

SCHEMBL19283613

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ITGB6 P18564 4/20 0.55
▸ ITGB8 P26012 3/20 0.55
▸ ITGA5 P08648 1/20 0.55
▸ CTSA P10619 2/20 0.49
▸ ITGAV P06756 8/20 0.49
▸ ITGB3 P05106 7/20 0.49
▸ NPC1 O15118 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MTOR P42345 1/20 0.47
▸ NTRK1 P04629 1/20 0.44
▸ NTRK2 Q16620 1/20 0.44
▸ TEAD4 Q15561 1/20 0.44
▸ ITGB5 P18084 3/20 0.42
▸ AKR1C3 P42330 1/20 0.42

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
SCHEMBL21821296 0.90 ITGA5 (0.49) ITGB6ITGB8ITGA5CTSAITGAV
SCHEMBL19283637 0.89 ITGA5 (0.47) ITGB6ITGB8ITGA5NPC1HTT
SCHEMBL20743761 0.89 NPC1 (0.47) ITGB6ITGB8ITGA5NPC1HTT
SCHEMBL30645019 0.89 NPC1 (0.47) ITGB6ITGB8ITGA5NPC1HTT
SCHEMBL19284026 0.88 ITGA5 (0.48) ITGB6ITGB8ITGA5CTSAITGAV
SCHEMBL21821305 0.87 SMN1; SMN2 (0.48) ITGB6ITGB8ITGA5CTSAITGAV
SCHEMBL21821307 0.87 SMN1; SMN2 (0.48) ITGB6ITGB8ITGA5CTSAITGAV
SCHEMBL21821295 0.86 ITGA5 (0.47) ITGB6ITGB8ITGA5CTSAITGAV
SCHEMBL21821327 0.86 ITGA5 (0.46) ITGB6ITGB8ITGA5CTSAITGAV
SCHEMBL19301133 0.86 ITGA5 (0.51) ITGB6ITGB8ITGA5NPC1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11274092-B2 Potassium channel inhibitors ACESION PHARMA APS (DK) 2022-03-15 — — US disclosed
US-20210188804-A1 NOVEL POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2021-06-24 — — US disclosed
CN-109153667-B Novel potassium channel inhibitors 阿塞西翁制药公司 2021-04-02 — — CN disclosed
EP-3419973-B1 NOVEL POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2020-04-08 — — EP disclosed
EP-3419973-A1 NOVEL POTASSIUM CHANNEL INHIBITORS Acesion Pharma ApS (DK) 2019-01-02 — — EP disclosed
WO-2017144183-A1 NOVEL POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2017-08-31 — — 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-20210188804-A1 NOVEL POTASSIUM CHANNEL INHIBITORS KCNJ2, KCNN2, KCNN1 ITGB6 3120/4885ITGB8 3935/4885ITGA5 3161/4885
US-11274092-B2 Potassium channel inhibitors KCNJ2, KCNJ11, KCNJ1 ITGB6 2913/4885ITGB8 3978/4885ITGA5 2293/4885

“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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