SCHEMBL6760894

SCHEMBL6760894

CCCC(=O)N(Cc1cncn1Cc1ccc(C#N)cc1)c1ccc2sc(C(=O)NCc3cccnc3)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.42
FNTB P49356 5/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KCNH2 Q12809 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
SCN9A Q15858 1/20 0.39
NAMPT P43490 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
NCOR2 Q9Y618 1/20 0.39

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
SCHEMBL6757376 0.96 FNTA (0.41) FNTAFNTBKCNH2CYP11B1CYP11B2
SCHEMBL6757414 0.95 FNTA (0.40) FNTAFNTBKCNH2CYP11B1CYP11B2
SCHEMBL6602018 0.92 FNTA (0.41) FNTAFNTBALDH1A1LMNAMAPK1
SCHEMBL6755058 0.89 NAMPT (0.45) FNTAFNTBKCNH2CYP11B1CYP11B2
SCHEMBL6760842 0.89 CYP11B1 (0.41) FNTAFNTBCYP11B1CYP11B2
SCHEMBL6760784 0.89 FNTA (0.45) FNTAFNTBALDH1A1LMNAMAPK1
SCHEMBL6756404 0.89 CYP11B1 (0.42) FNTAFNTBKCNH2CYP11B1CYP11B2
SCHEMBL6754980 0.88 FNTA (0.44) FNTAFNTBKCNH2SCN9ANAMPT
SCHEMBL6600849 0.86 FNTA (0.44) FNTAFNTBKCNH2
SCHEMBL6602989 0.86 FNTA (0.43) FNTAFNTBKCNH2

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-20040204417-A1 Novel benzothienyl or indole derivatives, preparation and use thereof as inhibitors of prenyl transferase proteins PIERRE FABRE MEDICAMENT (FR) 2004-10-14 US claimed

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-20040204417-A1 Novel benzothienyl or indole derivatives, preparation and use thereof as inhibitors of prenyl transferase proteins CBR1, CBR3, HCCS FNTA 338/4885FNTB 215/4885ALDH1A1 2558/4885

“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.