SCHEMBL6699673

SCHEMBL6699673

O=C(NC(Cc1ccc(Cl)c(Cl)c1)C(=O)NC12CCCC1OCC2=O)c1ccc(-n2ccnc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 10/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
GFER P55789 1/20 0.37
UBE2N P61088 1/20 0.35
F10 P00742 1/20 0.35
NAMPT P43490 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CTSV O60911 2/20 0.34
CTSB P07858 2/20 0.34
CTSS P25774 2/20 0.34
CTSK P43235 2/20 0.34
KDM1A O60341 1/20 0.34
DNMT3B Q9UBC3 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
SCHEMBL6705923 0.92 LSS (0.40) CTSLGFERNAMPTTDP1KMT2A
SCHEMBL6696828 0.90 KDM1A (0.41) CTSLGFERNAMPTTDP1KMT2A
SCHEMBL6700466 0.90 GFER (0.39) CTSLGFERF10NAMPTTDP1
SCHEMBL6702730 0.89 F10 (0.40) CTSLGFERF10NAMPTTDP1
SCHEMBL6703049 0.85 TDP1 (0.42) CTSLGFERUBE2NTDP1KMT2A
SCHEMBL6702836 0.84 CTSL (0.41) CTSLCYP2D6CYP2C9CTSBCTSS
SCHEMBL6294295 0.84 CTSL (0.40) CTSLCYP2D6CYP2C9
SCHEMBL6699255 0.84 CTSL (0.40) CTSLCYP2D6CYP2C9CTSBCTSS
SCHEMBL6695685 0.83 CTSB (0.45) CTSLCYP2D6CYP2C9KMT2ACTSB
SCHEMBL6991868 0.82 CTSL (0.39) CTSLCYP2D6CYP2C9KMT2ACTSB

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 3 patents. 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
EP-1358176-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-05 EP disclosed
WO-2002057246-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 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-20040106805-A1 Inhibitors of cruzipain and other cysteine proteases CTRL, CPN1, CPA1 CTSL 15/4885CYP2D6 4431/4885CYP2C9 4221/4885

“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.