SCHEMBL13656743

SCHEMBL13656743

CC(C)(C)OC(=O)NCc1cccc2c(CNC(=O)OC(C)(C)C)cccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.51
KCNA5 P22460 1/20 0.50
KDM4A O75164 1/20 0.49
HDAC10 Q969S8 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
PARP1 P09874 1/20 0.46
NAMPT P43490 2/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GLS O94925 2/20 0.44
CYP1A2 P05177 1/20 0.44
RPS6KA1 Q15418 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 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
SCHEMBL8601220 0.93 NQO2 (0.49) NQO2KCNA5KDM4AHDAC10HDAC6
SCHEMBL8018113 0.88 KCNA5 (0.56) NQO2KCNA5KDM4AHDAC10HDAC6
SCHEMBL30159605 0.88 KCNA5 (0.56) NQO2KCNA5KDM4AHDAC10HDAC6
SCHEMBL18300396 0.85 KLKB1 (0.46) NQO2KCNA5KDM4AHDAC10HDAC6
SCHEMBL30454240 0.85 KCNA5 (0.52) NQO2KCNA5KDM4AHDAC10HDAC6
SCHEMBL6874894 0.85 KCNA5 (0.52) NQO2KCNA5KDM4AHDAC10HDAC6
SCHEMBL17448537 0.85 AAK1 (0.50) KCNA5KDM4AHDAC10HDAC6NAMPT
SCHEMBL13315241 0.85 KDM4A (0.46) NQO2KCNA5KDM4AHDAC10HDAC6
SCHEMBL6018563 0.84 KCNA5 (0.46) NQO2KCNA5KDM4AHDAC10HDAC6
SCHEMBL6018224 0.83 KCNA5 (0.46) NQO2KCNA5KDM4AHDAC10HDAC6

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-7605182-B2 drug conjugate with a marker for imaging to detect by fluorescence, X-ray, computerized tomography, magnetic resonance imaging (MRI), radio-isotope scan, single photon emission tomography (SPECT) or positron emission tomography (PET scan); targeting anticancer drugs to the tumor in body APOSENSE LTD. (IL) 2009-10-20 US disclosed
US-20070031326-A1 Compounds that selectively bind to membranes of apoptotic cells NEUROSURVIVAL TECHNOLOGIES, LTD. (IL) 2007-02-08 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-20070031326-A1 Compounds that selectively bind to membranes of apoptotic cells BAD, BID, MCL1 NQO2 3775/4885KCNA5 3555/4885KDM4A 4231/4885

“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.