SCHEMBL16355442

SCHEMBL16355442

Bc1ccc(-c2cnc([C@H](C)NC)[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 5/20 0.36
▸ SCN5A Q14524 2/20 0.36
▸ NLN Q9BYT8 2/20 0.36
▸ NPC1 O15118 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL12158461 0.90 NPC1 (0.37) SCN10ASCN5ANLNNPC1POLB
SCHEMBL16355447 0.86 CDK5 (0.41) —
SCHEMBL16355444 0.84 PTGES (0.43) —
SCHEMBL16355449 0.84 PTGES (0.43) —
SCHEMBL12107457 0.81 NLN (0.41) NLN
SCHEMBL14274103 0.81 SCN5A (0.34) SCN10ASCN5ANLN
SCHEMBL14300085 0.81 NPC1 (0.34) NLNNPC1POLBMAPK1RAB9A
SCHEMBL16355456 0.80 CYP1A1 (0.37) SCN10ASCN5ANLN
SCHEMBL13758836 0.76 SSTR3 (0.51) —
SCHEMBL16355460 0.75 NLN (0.30) NLN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140378416-A1 SILYL-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. 2014-12-25 — — 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-20140378416-A1 SILYL-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1L, HBS1L, HAVCR2 SCN10A 4051/4885SCN5A 3025/4885NLN 4389/4885

“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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