SCHEMBL6749632

SCHEMBL6749632

CN(C(=O)C(Cc1cccc(O)c1)NC(=O)c1ccc(-n2cccn2)cc1)C1(C)COCC1=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 9/20 0.37
CTSV O60911 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HPGDS O60760 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
CTSD P07339 3/20 0.34
BACE1 P56817 3/20 0.34
CHRM1 P11229 1/20 0.34
LMNA P02545 1/20 0.33
PDE2A O00408 1/20 0.33

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
SCHEMBL6753778 0.92 KDM1A (0.38) KDM1ACTSLCHRM1
SCHEMBL6749624 0.88 F10 (0.43) HPGDSSIRT2SIRT1SIRT3
SCHEMBL6747834 0.86 HPGDS (0.44) CTSVCTSLCTSBCTSSRAB9A
SCHEMBL6751670 0.85 KDM1A (0.40) KDM1ACTSLCTSBCTSSPDE2A
SCHEMBL6749630 0.85 HPGDS (0.39) CTSVCTSLCTSBCTSSNPC1
SCHEMBL6985444 0.84 HPGDS (0.39) CTSVCTSLCTSBCTSSRAB9A
SCHEMBL6751642 0.84 CTSL (0.45) CTSVCTSLCTSBCTSSRAB9A
SCHEMBL6752290 0.84 CTSL (0.46) CTSLNPC1RAB9AHPGDSLMNA
SCHEMBL6752292 0.82 HPGDS (0.37) CTSLRAB9AHPGDSLMNA
SCHEMBL6747703 0.81 CTSL (0.40) CTSVCTSLCTSBCTSSHPGDS

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-20040127549-A1 Cyclic 2-carbonylaminoketones as inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2004-07-01 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-20040127549-A1 Cyclic 2-carbonylaminoketones as inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 KDM1A 1902/4885CTSV 32/4885CTSL 23/4885

“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.