SCHEMBL16355452

SCHEMBL16355452

CN[C@H](C)c1nc(C)c(-c2ccc(C)cc2)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.34
HTR1A P08908 2/20 0.33
HTR1D P28221 2/20 0.33
HTR1B P28222 2/20 0.33
HTR7 P34969 2/20 0.33
HTR2B P41595 2/20 0.33
HTR6 P50406 2/20 0.33
COMT P21964 1/20 0.33
HTR5A P47898 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HTR2A P28223 2/20 0.33
SLC6A4 P31645 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
NOTUM Q6P988 1/20 0.33
MAPK13 O15264 1/20 0.32
GCGR P47871 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32

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
SCHEMBL16355450 0.88 NPC1 (0.35) KDM4ELMNAMAPK13GCGRMAPK12
SCHEMBL16355454 0.88 NPC1 (0.35) KDM4ELMNAMAPK13GCGRMAPK12
SCHEMBL16355455 0.84 L3MBTL1 (0.34) KDM4ELMNAHTR1AHTR1DHTR1B
SCHEMBL16355451 0.80 KDM4E (0.37) KDM4ELMNAMEN1KMT2AMAPK13
SCHEMBL30603807 0.71 KDM4E (0.47) KDM4ELMNAMEN1KMT2ADCUN1D1
SCHEMBL16355447 0.71 CDK5 (0.41) LMNAMEN1KMT2AMAPTCCNB2
SCHEMBL4111920 0.69 KDM4E (0.69) KDM4ELMNAMEN1KMT2AMAPK13
SCHEMBL30469483 0.68 KDM4E (0.72) KDM4ELMNAMEN1KMT2AMAPK13
SCHEMBL24486045 0.65 KDM4E (0.49) KDM4ELMNATSHRSMN1; SMN2ALDH1A1
SCHEMBL23758282 0.65 GAA (0.58) KDM4EMEN1KMT2AMAPK13GCGR

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 KDM4E 2256/4885LMNA 368/4885HTR1A 4558/4885

“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.