SCHEMBL10077690

SCHEMBL10077690

O=C(NCc1ccccc1)c1ccc(O)nc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.71
HPGDS O60760 5/20 0.69
ALOX15 P16050 1/20 0.63
HDAC6 Q9UBN7 2/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
EPHX2 P34913 1/20 0.57
HPGD P15428 1/20 0.56
ROCK2 O75116 1/20 0.56
RPS6KA5 O75582 1/20 0.56
MAP4K4 O95819 1/20 0.56
PRKCG P05129 1/20 0.56
PRKACA P17612 1/20 0.56
RPS6KB1 P23443 1/20 0.56
MAPK1 P28482 1/20 0.56
AKT1 P31749 1/20 0.56
GSK3A P49840 1/20 0.56
GSK3B P49841 1/20 0.56
PRKX P51817 1/20 0.56
PRKCD Q05655 1/20 0.56

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
SCHEMBL7531532 0.85 HTT (0.64) L3MBTL1HPGDMAPK1LMNASMN1; SMN2
SCHEMBL7701024 0.85 RAB9A (0.72) L3MBTL1HDAC6HDAC2HDAC8LMNA
SCHEMBL9365919 0.84 ERCC1 (0.59) L3MBTL1HPGDSHDAC6HDAC2HDAC8
SCHEMBL13210567 0.84 L3MBTL1 (0.76) L3MBTL1HPGDSALOX15HDAC6HDAC2
SCHEMBL25044558 0.83 L3MBTL1 (0.69) L3MBTL1HPGDSALOX15HDAC6HDAC2
SCHEMBL13450997 0.83 L3MBTL1 (0.69) L3MBTL1HPGDSALOX15HDAC6HDAC2
SCHEMBL2257426 0.83 L3MBTL1 (0.69) L3MBTL1HPGDSALOX15HDAC6HDAC2
SCHEMBL4067449 0.83 L3MBTL1 (1.00) L3MBTL1HPGDSALOX15HDAC6HDAC2
SCHEMBL16495657 0.82 HPGDS (1.00) L3MBTL1HPGDSALOX15HDAC6HDAC2
SCHEMBL11900090 0.81 HDAC6 (0.85) HDAC6HDAC2HDAC8EPHX2HPGD

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-20120329842-A1 SMALL MOLECULE COMPOUNDS AS BROAD-SPECTRUM INHIBITORS OF METALLO-BETA-LACTAMASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-12-27 US disclosed
US-20120329842-A1 SMALL MOLECULE COMPOUNDS AS BROAD-SPECTRUM INHIBITORS OF METALLO-BETA-LACTAMASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-12-27 US disclosed
WO-2012088283-A1 SMALL MOLECULE COMPOUNDS AS BROAD-SPECTRUM INHIBITORS OF METALLO-BETA-LACTAMASES BAYLOR COLLEGE OF MEDICINE (US) 2012-06-28 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-20120329842-A1 SMALL MOLECULE COMPOUNDS AS BROAD-SPECTRUM INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, MGAM2, BPGM L3MBTL1 288/4885HPGDS 1247/4885ALOX15 660/4885

“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.