SCHEMBL6320846

SCHEMBL6320846

CC(C)(C)OC(=O)NCc1ccccc1CC#N

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.51
CTSS P25774 13/20 0.49
CTSK P43235 11/20 0.49
CTSB P07858 3/20 0.47
CTSL P07711 3/20 0.47
KDM4A O75164 1/20 0.47
MALT1 Q9UDY8 1/20 0.42
NAMPT P43490 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL30159605 0.88 KCNA5 (0.56) KCNA5CTSSCTSKKDM4AMALT1
SCHEMBL8018113 0.88 KCNA5 (0.56) KCNA5CTSSCTSKKDM4AMALT1
SCHEMBL5855817 0.83 KCNA5 (0.48) KCNA5CTSSCTSKCTSBCTSL
SCHEMBL30454240 0.82 KCNA5 (0.52) KCNA5CTSSCTSKKDM4AMALT1
SCHEMBL6874894 0.82 KCNA5 (0.52) KCNA5CTSSCTSKKDM4AMALT1
SCHEMBL21960819 0.81 KCNA5 (0.56) KCNA5CTSSCTSKCTSBCTSL
SCHEMBL6924987 0.81 KCNA5 (0.51) KCNA5KDM4AMALT1NAMPTHDAC10
SCHEMBL7654695 0.81 KCNA5 (0.54) KCNA5CTSSCTSKKDM4AMALT1
SCHEMBL825511 0.79 KCNA5 (0.53) KCNA5CTSSCTSKKDM4ANAMPT
SCHEMBL8240426 0.79 KCNA5 (0.50) KCNA5CTSSCTSKKDM4AMALT1

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-20050250765-A1 Diazepinones as antiviral agents CHO HIDETSURA 2005-11-10 US disclosed
WO-2002014324-A2 DIAZEPINONES AS ANTIVIRAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-02-21 WO 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-20050250765-A1 Diazepinones as antiviral agents ZC3HAV1, ECI1, ZC3HAV1L KCNA5 2016/4885CTSS 2164/4885CTSK 2200/4885

“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.