SCHEMBL6317617

SCHEMBL6317617

CC(=O)N1CCN(Cc2sc3c(=O)c(C(=O)NCc4ccc(Cl)cc4)cn(C)c3c2C)CC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.56
CHRM1 P11229 1/20 0.43
HTR2A P28223 1/20 0.43
MCHR1 Q99705 1/20 0.43
POLA1 P09884 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL6319009 0.92 KCNH2 (0.56) KCNH2POLA1MEN1KMT2A
SCHEMBL6320235 0.89 KCNH2 (0.66) KCNH2POLA1MEN1KMT2A
SCHEMBL6318402 0.88 KCNH2 (0.56) KCNH2POLA1MEN1KMT2A
SCHEMBL6319483 0.86 KCNH2 (0.53) KCNH2POLA1MEN1KMT2A
SCHEMBL6320576 0.85 KCNH2 (0.55) KCNH2POLA1MEN1KMT2A
SCHEMBL6319481 0.83 KCNH2 (0.65) KCNH2
SCHEMBL6325235 0.83 KCNH2 (0.65) KCNH2
SCHEMBL6319279 0.83 KCNH2 (0.54) KCNH2POLA1MEN1KMT2A
SCHEMBL6317438 0.83 KCNH2 (0.52) KCNH2POLA1MEN1KMT2A
SCHEMBL6318317 0.81 KCNH2 (0.52) KCNH2MEN1KMT2A

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-6852731-B2 Antiviral compounds PFIZER (US) 2005-02-08 US claimed
US-20040242884-A1 ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY 2004-12-02 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-20040242884-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, IRF3, IFNAR1 KCNH2 491/4885CHRM1 4046/4885HTR2A 4642/4885

“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.