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)
SCHEMBL16355449 0.84 PTGES (0.43)
SCHEMBL16355444 0.84 PTGES (0.43)
SCHEMBL14274103 0.81 SCN5A (0.34) SCN10ASCN5ANLN
SCHEMBL12107457 0.81 NLN (0.41) NLN
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.