SCHEMBL6702730

SCHEMBL6702730

O=C(NC(Cc1cccc(O)c1)C(=O)NC12CCCC1OCC2=O)c1ccc(-n2ccnc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.40
CYP4Z1 Q86W10 1/20 0.39
DNMT3B Q9UBC3 1/20 0.38
CTSL P07711 4/20 0.36
CTSS P25774 4/20 0.36
CTSK P43235 4/20 0.36
CTSB P07858 3/20 0.36
CTSV O60911 2/20 0.36
GFER P55789 1/20 0.36
NAMPT P43490 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
AGTR2 P50052 1/20 0.34
TAOK1 Q7L7X3 1/20 0.34
TAOK3 Q9H2K8 1/20 0.34
KMT2A Q03164 1/20 0.34
ROCK2 O75116 2/20 0.34
KDM1A O60341 1/20 0.34

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 0.91 GFER (0.39) F10CYP4Z1DNMT3BCTSLCTSS
SCHEMBL6699673 0.89 CTSL (0.40) F10DNMT3BCTSLCTSSCTSK
SCHEMBL6696828 0.88 KDM1A (0.41) CTSLCTSSCTSKGFERNAMPT
SCHEMBL6705923 0.88 LSS (0.40) CTSLCTSSCTSKCTSBCTSV
SCHEMBL6703049 0.85 TDP1 (0.42) DNMT3BCTSLCTSSCTSKCTSB
SCHEMBL6749613 0.84 F10 (0.43) F10CYP4Z1DNMT3BCTSLCTSS
SCHEMBL6295541 0.84 TACR2 (0.39) CTSLCTSSCTSKCTSBCTSV
SCHEMBL6295787 0.84 CTSL (0.46) CTSLCTSSCTSKCTSBKMT2A
SCHEMBL6294793 0.83 CTSB (0.45) CTSLCTSSCTSKCTSBKMT2A
SCHEMBL6295728 0.82 CTSL (0.36) CTSLCTSSCTSKCTSBKMT2A

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 F10 477/4885CYP4Z1 2523/4885DNMT3B 4356/4885

“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.