SCHEMBL21821306

SCHEMBL21821306

COCC(NC(=O)CC(Nc1nc2ccccc2[nH]1)c1cccc(SC(F)(F)F)c1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ HTT P42858 1/20 0.42
▸ KDR P35968 1/20 0.40
▸ TEK Q02763 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ TACR3 P29371 1/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ ITGB3 P05106 4/20 0.38
▸ ITGAV P06756 4/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ PKM P14618 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
SCHEMBL19283477 1.00 NPC1 (0.42) NPC1RAB9ASMN1; SMN2HTTKDR
SCHEMBL19283684 0.88 HPGD (0.41) NPC1RAB9ASMN1; SMN2HTTKDR
SCHEMBL21821310 0.88 ITGA5 (0.45) NPC1RAB9ASMN1; SMN2HTTTEK
SCHEMBL19283490 0.88 ITGA5 (0.45) NPC1RAB9ASMN1; SMN2HTTTEK
SCHEMBL19283595 0.83 NPC1 (0.39) NPC1RAB9ASMN1; SMN2HTTKDR
SCHEMBL19283658 0.81 NPC1 (0.44) NPC1RAB9ASMN1; SMN2HTTKDR
SCHEMBL19283536 0.78 NPC1 (0.38) NPC1RAB9ASMN1; SMN2HTTKDR
SCHEMBL21821314 0.77 RAB9A (0.47) NPC1RAB9ASMN1; SMN2HTTMEN1
SCHEMBL20743189 0.75 NPC1 (0.48) NPC1RAB9ASMN1; SMN2HTTMEN1
SCHEMBL30645121 0.75 NPC1 (0.48) 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 8 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
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

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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