SCHEMBL16355456

SCHEMBL16355456

CC#Cc1ccc(-c2cnc([C@@H](C)NC)[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP1B1 Q16678 1/20 0.37
SCN10A Q9Y5Y9 3/20 0.36
NPY5R Q15761 1/20 0.32
NLN Q9BYT8 2/20 0.31
HDAC1 Q13547 1/20 0.31
SCN5A Q14524 2/20 0.31

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 0.85 NPC1 (0.37) SCN10ANPY5RNLNSCN5A
SCHEMBL16355457 0.83 SCN10A (0.43) CYP1A1CYP1A2CYP1B1SCN10ANLN
SCHEMBL16355447 0.81 CDK5 (0.41) CYP1A2
SCHEMBL16355449 0.80 PTGES (0.43) HDAC1
SCHEMBL16355444 0.80 PTGES (0.43) HDAC1
SCHEMBL16355442 0.80 SCN10A (0.36) SCN10ANLNSCN5A
SCHEMBL14300085 0.76 NPC1 (0.34) NLNHDAC1
SCHEMBL14274103 0.76 SCN5A (0.34) SCN10ANLNSCN5A
SCHEMBL12107457 0.76 NLN (0.41) NLNHDAC1
SCHEMBL16355460 0.70 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 CYP1A1 713/4885CYP1A2 585/4885CYP1B1 461/4885

“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.