SCHEMBL21821311

SCHEMBL21821311

COC(=O)CC(Nc1nc2ccccc2[nH]1)c1ccc(F)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.43
▸ RAB9A P51151 8/20 0.43
▸ SMN1; SMN2 Q16637 7/20 0.43
▸ HTT P42858 1/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ BDKRB1 P46663 1/20 0.42
▸ PKM P14618 2/20 0.42
▸ LMNA P02545 4/20 0.42
▸ TP53 P04637 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ FFAR2 O15552 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL20744007 0.90 NPC1 (0.46) NPC1RAB9ASMN1; SMN2HTTMEN1
SCHEMBL21821325 0.88 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2HTTMEN1
SCHEMBL19283555 0.82 NPC1 (0.39) NPC1RAB9ASMN1; SMN2HTTMEN1
SCHEMBL19283637 0.81 ITGA5 (0.47) NPC1RAB9ASMN1; SMN2HTTMEN1
SCHEMBL20743990 0.78 NPC1 (0.47) NPC1RAB9ASMN1; SMN2HTTMEN1
SCHEMBL19283571 0.77 HPGD (0.44) NPC1RAB9ASMN1; SMN2HTTMEN1
SCHEMBL30645011 0.76 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2HTTMEN1
SCHEMBL20743137 0.76 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2HTTMEN1
SCHEMBL19283879 0.74 NPC1 (0.44) NPC1RAB9ASMN1; SMN2HTTMEN1
SCHEMBL21821324 0.74 ITGA5 (0.45) NPC1RAB9ASMN1; SMN2HTTMEN1

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 3 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
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 (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 NPC1 277/4885RAB9A 1632/4885SMN1; SMN2 1510/4885
US-11274092-B2 Potassium channel inhibitors KCNJ2, KCNJ11, KCNJ1 NPC1 268/4885RAB9A 1920/4885SMN1; SMN2 1525/4885

“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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