SCHEMBL6703049

SCHEMBL6703049

CC(C)CC(NC(=O)c1ccc(-n2ccnc2)cc1)C(=O)NC12CCCC1OCC2=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
GFER P55789 1/20 0.41
CTSL P07711 3/20 0.40
KMT2A Q03164 1/20 0.40
CTSK P43235 8/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
ABCC9 O60706 1/20 0.37
KCNJ11 Q14654 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
KDM1A O60341 1/20 0.37
DNMT3B Q9UBC3 1/20 0.37
UBE2N P61088 1/20 0.37
HTT P42858 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
SCHEMBL6700466 0.87 GFER (0.39) TDP1GFERCTSLKMT2ACTSK
SCHEMBL6696828 0.87 KDM1A (0.41) TDP1GFERCTSLKMT2ACTSK
SCHEMBL6705923 0.86 LSS (0.40) TDP1GFERCTSLKMT2ACTSK
SCHEMBL6702730 0.85 F10 (0.40) TDP1GFERCTSLKMT2ACTSK
SCHEMBL6699673 0.85 CTSL (0.40) TDP1GFERCTSLKMT2ACTSK
SCHEMBL6699225 0.83 CTSK (0.53) CTSLCTSKCTSBCTSS
SCHEMBL6752509 0.83 TDP1 (0.45) TDP1GFERCTSLKMT2ACTSK
SCHEMBL6701483 0.83 CTSK (0.54) CTSLCTSKCTSBCTSS
SCHEMBL6698003 0.82 CTSL (0.45) CTSLKMT2ACTSKCTSBCTSS
SCHEMBL6294857 0.82 CTSL (0.47) CTSLCTSKCTSBCTSS

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-20040106805-A1 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2004-06-03 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-20040106805-A1 Inhibitors of cruzipain and other cysteine proteases CTRL, CPN1, CPA1 TDP1 1683/4885GFER 2509/4885CTSL 15/4885

“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.