SCHEMBL1175103

SCHEMBL1175103

O=C(N/N=C\c1ccccc1O)c1cc2ccccc2cc1O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.82
ECE2 P0DPD6 2/20 0.78
ECE1 P42892 2/20 0.78
MUS81 Q96NY9 2/20 0.78
PGR P06401 1/20 0.74
MEN1 O00255 6/20 0.71
KMT2A Q03164 6/20 0.71
KDM4E B2RXH2 1/20 0.71
TP53 P04637 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2D6 P10635 1/20 0.71
HPGD P15428 1/20 0.71
MAPK1 P28482 1/20 0.71
HSD17B10 Q99714 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
NPC1 O15118 2/20 0.69
RAB9A P51151 2/20 0.69
SIRT1 Q96EB6 1/20 0.69
FTO Q9C0B1 1/20 0.69
GAA P10253 3/20 0.67

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
SCHEMBL1175104 1.00 AR (0.82) ARECE2ECE1MUS81PGR
SCHEMBL12868822 1.00 AR (0.82) ARECE2ECE1MUS81PGR
SCHEMBL29874298 1.00 AR (0.82) ARECE2ECE1MUS81PGR
SCHEMBL4570233 0.91 AR (0.76) ARECE2ECE1MUS81PGR
SCHEMBL14983767 0.90 AR (1.00) ARECE2ECE1MUS81PGR
SCHEMBL14983945 0.88 AR (0.76) ARECE2ECE1MUS81PGR
SCHEMBL14983781 0.88 AR (0.76) ARECE2ECE1MUS81PGR
SCHEMBL4570236 0.88 AR (0.80) ARECE2ECE1MUS81PGR
SCHEMBL14983736 0.88 AR (0.80) ARECE2ECE1MUS81PGR
SCHEMBL14983950 0.88 AR (0.76) ARECE2ECE1MUS81PGR

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-20110046101-A1 BATE-LACTAMASE INHIBITORS DMITRIENKO GARY I 2011-02-24 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-20110046101-A1 BATE-LACTAMASE INHIBITORS OXA1L, MGAM, PREP AR 3584/4885ECE2 159/4885ECE1 61/4885

“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.