SCHEMBL20744007

SCHEMBL20744007

COC(=O)CC(Nc1nc2ccccc2[nH]1)c1cc(C)c(F)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 12/20 0.46
▸ RAB9A P51151 12/20 0.46
▸ SMN1; SMN2 Q16637 6/20 0.46
▸ PKM P14618 3/20 0.46
▸ HSP90AA1 P07900 2/20 0.46
▸ PAX8 Q06710 1/20 0.46
▸ HTT P42858 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ KLF5 Q13887 1/20 0.44
▸ TP53 P04637 3/20 0.43
▸ USP2 O75604 1/20 0.43
▸ LMNA P02545 4/20 0.43
▸ GAA P10253 1/20 0.43

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
SCHEMBL21821311 0.90 NPC1 (0.43) NPC1RAB9ASMN1; SMN2PKMHTT
SCHEMBL20743990 0.88 NPC1 (0.47) NPC1RAB9ASMN1; SMN2PKMHSP90AA1
SCHEMBL19283571 0.86 HPGD (0.44) NPC1RAB9ASMN1; SMN2PKMHSP90AA1
SCHEMBL21821325 0.86 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2PKMHTT
SCHEMBL19283879 0.84 NPC1 (0.44) NPC1RAB9ASMN1; SMN2PKMHSP90AA1
SCHEMBL19283637 0.81 ITGA5 (0.47) NPC1RAB9ASMN1; SMN2PKMHTT
SCHEMBL30645132 0.74 CYP3A4 (0.44) NPC1RAB9ASMN1; SMN2PKMHSP90AA1
SCHEMBL30645011 0.73 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL20743137 0.73 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL21821324 0.73 ITGA5 (0.45) NPC1RAB9ASMN1; SMN2PKMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200216398-A1 NOVEL POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2020-07-09 — — US disclosed
US-20200216398-A1 NOVEL POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2020-07-09 — — US disclosed
EP-3668841-A1 SUBSTITUTED BENZIMIDAZOLES AS POTASSIUM CHANNEL INHIBITORS Acesion Pharma ApS (DK) 2020-06-24 — — EP disclosed
WO-2019034603-A1 SUBSTITUTED BENZIMIDAZOLES AS POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2019-02-21 — — 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 (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-20200216398-A1 NOVEL POTASSIUM CHANNEL INHIBITORS KCNN1, KCNN2, KCNJ2 NPC1 298/4885RAB9A 1669/4885SMN1; SMN2 1317/4885

“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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