SCHEMBL21821307

SCHEMBL21821307

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ ITGA5 P08648 1/20 0.46
▸ ITGB6 P18564 1/20 0.46
▸ ITGB8 P26012 1/20 0.46
▸ MTOR P42345 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ CTSA P10619 2/20 0.40
▸ SOS1 Q07889 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ RAF1 P04049 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ NTRK2 Q16620 1/20 0.40
▸ TEAD4 Q15561 1/20 0.40
▸ GPR139 Q6DWJ6 1/20 0.39
▸ PIN1 Q13526 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
SCHEMBL21821305 1.00 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AHTTITGA5
SCHEMBL21821331 0.91 NPC1 (0.45) SMN1; SMN2NPC1RAB9AHTTITGA5
SCHEMBL23547183 0.91 NPC1 (0.45) SMN1; SMN2NPC1RAB9AHTTITGA5
SCHEMBL21821334 0.90 ITGA5 (0.46) SMN1; SMN2NPC1RAB9AHTTITGA5
SCHEMBL30645019 0.88 NPC1 (0.47) SMN1; SMN2NPC1RAB9AHTTITGA5
SCHEMBL20743761 0.88 NPC1 (0.47) SMN1; SMN2NPC1RAB9AHTTITGA5
SCHEMBL19283490 0.87 ITGA5 (0.45) SMN1; SMN2NPC1RAB9AHTTITGA5
SCHEMBL21821310 0.87 ITGA5 (0.45) SMN1; SMN2NPC1RAB9AHTTITGA5
SCHEMBL19283658 0.87 NPC1 (0.44) SMN1; SMN2NPC1RAB9AHTTITGA5
SCHEMBL19283613 0.87 ITGB6 (0.55) SMN1; SMN2NPC1RAB9AHTTITGA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210188804-A1 NOVEL POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2021-06-24 — — US claimed
EP-3419973-B1 NOVEL POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2020-04-08 — — EP claimed
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

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-20210188804-A1 NOVEL POTASSIUM CHANNEL INHIBITORS KCNJ2, KCNN2, KCNN1 SMN1; SMN2 1510/4885NPC1 277/4885RAB9A 1632/4885

“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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