SCHEMBL13412480

SCHEMBL13412480

CC(C)(C)CCc1nc(CC(N)=O)cs1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GABRA5 P31644 1/20 0.38
GABRB2 P47870 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 1/20 0.38
HDAC1 Q13547 6/20 0.36
HDAC6 Q9UBN7 6/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
CSNK2A1 P68400 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL13412479 0.86 HSD17B10 (0.50) ALDH1A1RAB9AGABRA5GABRB2HSD17B10
SCHEMBL14206861 0.83 SLC6A3 (0.45) ALDH1A1RAB9AL3MBTL1GABRA5GABRB2
SCHEMBL13412481 0.80 SMN1; SMN2 (0.56) ALDH1A1MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL13447427 0.80 SLC6A3 (0.47) ALDH1A1RAB9AL3MBTL1GABRA5GABRB2
SCHEMBL13412476 0.79 HDAC1 (0.33) HDAC1HDAC6
SCHEMBL13412484 0.78 DPP4 (0.40) ALDH1A1RAB9AL3MBTL1MEN1HDAC1
SCHEMBL13412478 0.78 HDAC1 (0.35) HDAC1HDAC6
SCHEMBL15581589 0.77 GABRA5 (0.44) ALDH1A1RAB9AL3MBTL1GABRA5GABRB2
SCHEMBL13412485 0.74 CDK5 (0.34) HDAC1HDAC6
SCHEMBL13412495 0.73 ALDH1A1 (0.38) ALDH1A1RAB9AGABRA5GABRB2HSD17B10

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 ALDH1A1 1154/4885RAB9A 294/4885L3MBTL1 2892/4885

“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.