SCHEMBL13404669

SCHEMBL13404669

CC(=O)NC(C)(C)c1csc(-c2ccc(C(C)=O)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NTMT1 Q9BV86 16/20 0.45
▸ UGCG Q16739 1/20 0.44
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ PIK3CG P48736 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
SCHEMBL3193279 0.91 KDM4E (0.50) NTMT1UGCGNPC1RAB9ASMN1; SMN2
SCHEMBL3208629 0.84 MAPT (0.48) NTMT1UGCGMAPTRAB9A
SCHEMBL21774206 0.80 KDM4E (0.45) NTMT1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL13404675 0.77 NPC1 (0.53) NTMT1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL3205684 0.76 NPC1 (0.52) NTMT1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL12614687 0.76 NTMT1 (0.58) NTMT1UGCGNPC1RAB9ASMN1; SMN2
SCHEMBL13404712 0.75 HRH3 (0.51) NTMT1UGCG
SCHEMBL3209822 0.75 HRH3 (0.51) NTMT1UGCG
SCHEMBL3554861 0.74 SMN1; SMN2 (0.48) NTMT1UGCGNPC1MAPTRAB9A
SCHEMBL13680487 0.73 ALDH1A1 (0.49) NPC1MAPTRAB9ASMN1; SMN2PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705025-B2 Histamine H3 receptor agents, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2010-04-27 — — US disclosed
US-20090048225-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY 2009-02-19 — — US 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-20090048225-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES HRH3, HRH4, HCRTR1 NTMT1 1575/4885UGCG 2413/4885NPC1 963/4885

“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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