SCHEMBL6696828

SCHEMBL6696828

O=C(NC(Cc1ccc(F)cc1)C(=O)NC12CCCC1OCC2=O)c1ccc(-n2ccnc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
GFER P55789 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
CTSL P07711 5/20 0.37
CTSS P25774 2/20 0.36
CTSK P43235 2/20 0.36
USP30 Q70CQ3 2/20 0.36
SLC6A9 P48067 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
CTSC P53634 1/20 0.35
KMT2A Q03164 1/20 0.35
TACR2 P21452 1/20 0.35
NAMPT P43490 1/20 0.35
MC4R P32245 1/20 0.35
MC3R P41968 1/20 0.35
MC1R Q01726 1/20 0.35
TAOK1 Q7L7X3 1/20 0.34
TAOK3 Q9H2K8 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 0.94 GFER (0.39) KDM1AGFERTDP1CTSLCTSS
SCHEMBL6705923 0.93 LSS (0.40) KDM1AGFERTDP1CTSLCTSS
SCHEMBL6699673 0.90 CTSL (0.40) KDM1AGFERTDP1CTSLCTSS
SCHEMBL6702730 0.88 F10 (0.40) KDM1AGFERTDP1CTSLCTSS
SCHEMBL6703049 0.87 TDP1 (0.42) KDM1AGFERTDP1CTSLCTSS
SCHEMBL6300222 0.83 CTSL (0.39) CTSLCTSSCTSKUSP30
SCHEMBL6300636 0.83 CTSL (0.41) CTSLCTSSCTSKUSP30KMT2A
SCHEMBL6696901 0.83 USP30 (0.42) CTSLCTSSCTSKUSP30
SCHEMBL6294795 0.82 CTSB (0.49) CTSLCTSSCTSKUSP30KMT2A
SCHEMBL6300527 0.81 CTSL (0.38) CTSLCTSSCTSKUSP30KMT2A

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 KDM1A 2591/4885GFER 2509/4885TDP1 1683/4885

“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.