SCHEMBL20132591

SCHEMBL20132591

CC(C)Cn1cc(-c2cccc(SS)c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
PDK2 Q15119 3/20 0.41
NAMPT P43490 1/20 0.39
KCNH2 Q12809 8/20 0.39
CTSD P07339 1/20 0.39
BACE1 P56817 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.39
ACHE P22303 2/20 0.38
JAK2 O60674 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
USP30 Q70CQ3 1/20 0.37
TTK P33981 1/20 0.36
MAPK8 P45983 1/20 0.36

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
SCHEMBL13036040 0.83 PRMT5 (0.47) PRMT5WDR77PDK2NAMPTKCNH2
SCHEMBL15340952 0.79 PRMT5 (0.49) PRMT5WDR77PDK2NAMPTKCNH2
SCHEMBL885907 0.78 L3MBTL1 (0.59) PRMT5WDR77PDK2NAMPTACHE
SCHEMBL13537101 0.73 L3MBTL1 (0.60) PRMT5WDR77PDK2NAMPTCTSD
SCHEMBL17130593 0.72 PRMT5 (0.48) PRMT5WDR77PDK2NAMPTKCNH2
SCHEMBL21054318 0.70 NAMPT (0.41) PRMT5WDR77PDK2NAMPTCTSD
SCHEMBL17795050 0.70 NAMPT (0.48) PRMT5WDR77PDK2NAMPTKCNH2
SCHEMBL22643135 0.69 KCNH2 (0.58) PRMT5WDR77KCNH2ACHE
SCHEMBL16911740 0.69 PRMT5 (0.48) PRMT5WDR77PDK2NAMPTKCNH2
SCHEMBL15376325 0.69 PRMT5 (0.50) PRMT5WDR77PDK2NAMPTKCNH2

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-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 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-20180127388-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 PRMT5 1706/4885WDR77 3468/4885PDK2 1160/4885

“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.