SCHEMBL3519181

SCHEMBL3519181

CC(C)(C)OC(=O)NCc1ccc(-c2cccc(B(O)O)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.56
TRPV1 Q8NER1 2/20 0.47
NAMPT P43490 2/20 0.45
MGLL Q99685 1/20 0.44
HPN P05981 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SDCBP O00560 1/20 0.44
SDC2 P34741 1/20 0.44
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
CTSB P07858 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42
GAA P10253 1/20 0.42
CYP17A1 P05093 1/20 0.42
KDM4A O75164 1/20 0.42
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
PSMB8 P28062 1/20 0.41
PSMB5 P28074 1/20 0.41

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
SCHEMBL1162968 0.86 GLS (0.49) HDAC1NAMPTL3MBTL1KDM4ABRD4
SCHEMBL2570147 0.84 HDAC1 (0.62) HDAC1NAMPTHPNL3MBTL1SDCBP
SCHEMBL433769 0.83 TRPV1 (0.53) HDAC1TRPV1NAMPTL3MBTL1GAA
SCHEMBL1691047 0.83 HDAC1 (0.67) HDAC1NAMPTL3MBTL1SDCBPSDC2
SCHEMBL3278301 0.82 HDAC1 (0.58) HDAC1NAMPTHPNL3MBTL1SDCBP
SCHEMBL31716389 0.82 HDAC1 (0.58) HDAC1NAMPTHPNL3MBTL1SDCBP
SCHEMBL15773802 0.82 HDAC1 (0.55) HDAC1NAMPTHPNL3MBTL1SDCBP
SCHEMBL14830589 0.82 TRPV1 (0.53) HDAC1TRPV1MGLLHDAC6
SCHEMBL30504293 0.82 HDAC1 (0.56) HDAC1NAMPTCTSSCTSKCTSB
SCHEMBL2570189 0.81 HDAC1 (0.63) HDAC1NAMPTHPNL3MBTL1SDCBP

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-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 US disclosed
EP-2044068-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS Merck & Co., Inc. (US) 2009-04-08 EP disclosed
WO-2008010964-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK & CO., INC. (US) 2008-01-24 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-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS RNASEH1, RNASE1, RNASEL HDAC1 505/4885TRPV1 4391/4885NAMPT 403/4885

“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.