SCHEMBL19283748

SCHEMBL19283748

O=C(CC(Nc1nc2ccccc2[nH]1)c1cccc(C(F)(F)F)c1)NC1COC1

nearest known ligand 0.48

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
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42
▸ SOS1 Q07889 2/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ HTT P42858 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ NTRK2 Q16620 1/20 0.39
▸ TEAD4 Q15561 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
SCHEMBL29462422 0.93 ITGA5 (0.45) ITGA5ITGB6ITGB8GRIN1GRIN2B
SCHEMBL19283846 0.93 ITGA5 (0.45) ITGA5ITGB6ITGB8GRIN1GRIN2B
SCHEMBL19283825 0.88 ITGA5 (0.44) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL19284046 0.85 ITGA5 (0.43) ITGA5ITGB6ITGB8GRIN1GRIN2B
SCHEMBL20743761 0.85 NPC1 (0.47) ITGA5ITGB6ITGB8SOS1NPC1
SCHEMBL30645019 0.85 NPC1 (0.47) ITGA5ITGB6ITGB8SOS1NPC1
SCHEMBL19283613 0.83 ITGB6 (0.55) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL21821296 0.82 ITGA5 (0.49) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL21821327 0.82 ITGA5 (0.46) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL19283808 0.81 ITGA5 (0.47) ITGA5ITGB6ITGB8SOS1NPC1

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

“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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