SCHEMBL16160959

SCHEMBL16160959

CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cccc2c1OCCC2NCc1cncn1Cc1ccc(-c2cncs2)cc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FNTA P49354 10/20 0.36
FNTB P49356 10/20 0.36
KCNH2 Q12809 9/20 0.34
PGGT1B P53609 6/20 0.32
MMP1 P03956 1/20 0.32
WDR5 P61964 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL16160947 1.00 FNTA (0.36) FNTAFNTBKCNH2PGGT1BMMP1
SCHEMBL16160938 1.00 FNTA (0.36) FNTAFNTBKCNH2PGGT1BMMP1
SCHEMBL16160926 0.96 FNTA (0.39) FNTAFNTBKCNH2PGGT1B
SCHEMBL16160924 0.95 WDR5 (0.36) FNTAFNTBKCNH2PGGT1BWDR5
SCHEMBL16160955 0.94 FNTA (0.35) FNTAFNTBKCNH2PGGT1B
SCHEMBL16160940 0.94 FNTA (0.35) FNTAFNTBKCNH2PGGT1B
SCHEMBL16160956 0.94 FNTA (0.35) FNTAFNTBKCNH2PGGT1B
SCHEMBL16160936 0.93 CTSL (0.36) FNTAFNTBKCNH2MMP1
SCHEMBL16160953 0.93 CTSL (0.36) FNTAFNTBKCNH2MMP1
SCHEMBL16160939 0.93 CTSL (0.36) FNTAFNTBKCNH2MMP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150527-B2 Metalloenzyme inhibitor compounds INNOCRIN PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-20140303157-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2014-10-09 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-20140303157-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO FNTA 1764/4885FNTB 1177/4885KCNH2 2250/4885

“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.