SCHEMBL13447331

SCHEMBL13447331

CCCCc1csc(C(N)=O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.43
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
PLA2G4A P47712 1/20 0.40
AOC3 Q16853 4/20 0.37
NOS2 P35228 1/20 0.37
GABRA5 P31644 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 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
SCHEMBL29686211 0.94 PLA2G4A (0.44) IKBKBMEN1ALDH1A1KMT2APLA2G4A
SCHEMBL29528876 0.90 ALDH1A1 (0.43) IKBKBMEN1ALDH1A1KMT2APLA2G4A
SCHEMBL27647396 0.85 PLA2G4A (0.48) MEN1ALDH1A1KMT2APLA2G4AGABRA5
SCHEMBL17717276 0.82 KMT2A (0.44) MEN1ALDH1A1KMT2APLA2G4AAOC3
SCHEMBL13412495 0.80 ALDH1A1 (0.38) MEN1ALDH1A1KMT2AAOC3GABRA5
SCHEMBL22222462 0.80 KCNH2 (0.44) MEN1ALDH1A1KMT2APLA2G4APDE5A
SCHEMBL17977280 0.79 MEN1 (0.37) MEN1ALDH1A1KMT2AAOC3GABRA5
SCHEMBL19156023 0.79 PLA2G4A (0.52) PLA2G4AADRB2ADRB1ADRB3KCNH2
SCHEMBL4071597 0.79 MEN1 (0.37) MEN1ALDH1A1KMT2AAOC3GABRA5
SCHEMBL4911470 0.77 KMT2A (0.39) MEN1ALDH1A1KMT2AGABRA5GABRB2

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 2 patents. 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
US-20080280836-A1 Anti-hypercholesterolemic biaryl azetidinone compounds MORRIELLO GREGORI J 2008-11-13 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 (2 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-20080280836-A1 Anti-hypercholesterolemic biaryl azetidinone compounds APOB, PCSK9, CYP46A1 IKBKB 284/4885MEN1 1976/4885ALDH1A1 1045/4885
US-20100069347-A1 HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS LDLR, PCSK9, CYP46A1 IKBKB 548/4885MEN1 1189/4885ALDH1A1 1154/4885

“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.