SCHEMBL13412486

SCHEMBL13412486

CC(C)(C)CCc1cnc(N)cn1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.43
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TTBK1 Q5TCY1 1/20 0.32
ALOX5AP P20292 3/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MCHR1 Q99705 1/20 0.31
FEN1 P39748 3/20 0.30
NOS3 P29474 2/20 0.30
NOS2 P35228 2/20 0.30
NOS1 P29475 1/20 0.30

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
SCHEMBL10221991 0.80 MEN1 (0.32) MEN1KMT2ATTBK1ALOX5APFEN1
SCHEMBL11523536 0.79 MEN1 (0.38) NUDT1MEN1KMT2AALOX5APKDM4E
SCHEMBL9593913 0.77 NOS2 (0.44) MEN1KMT2AALOX5APKDM4EHSD17B10
SCHEMBL6468946 0.77 MEN1 (0.41) NUDT1MEN1KMT2AKDM4EHSD17B10
SCHEMBL21325538 0.76 NUDT1 (0.36) NUDT1
SCHEMBL13447545 0.73 NOS2 (0.47) MEN1KMT2AKDM4EHSD17B10NOS3
SCHEMBL16679336 0.72 MEN1 (0.39) MEN1KMT2AALOX5APFEN1
SCHEMBL6708077 0.72 KCNH2 (0.42) MEN1KMT2AKDM4EHSD17B10NOS2
SCHEMBL16679299 0.72 MEN1 (0.36) MEN1KMT2AALOX5APFEN1NOS3
SCHEMBL1725245 0.72

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-20100069347-A1 HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS MERCK SHARP & DOHME CORP. 2010-03-18 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-20100069347-A1 HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS LDLR, PCSK9, CYP46A1 NUDT1 574/4885MEN1 1189/4885KMT2A 1716/4885

“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.