SCHEMBL10077157

SCHEMBL10077157

O=C(O)c1nc(Cc2ccccc2)nc(O)c1O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RNASEH1 O60930 2/20 0.54
EGLN1 Q9GZT9 5/20 0.43
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
CHUK O15111 1/20 0.41
TXNRD1 Q16881 1/20 0.41
NOX4 Q9NPH5 1/20 0.41
PTPN1 P18031 2/20 0.41
PTPN2 P17706 1/20 0.41
PTPN6 P29350 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL13728919 0.86 CATSPER1 (0.41) RNASEH1EGLN1NR1H2NR1H3CHUK
SCHEMBL13729492 0.84 CALM1 (0.46) RNASEH1CHUKTXNRD1NOX4ALDH1A1
SCHEMBL5128630 0.83 RNASEH1 (0.59) RNASEH1EGLN1NR1H2NR1H3ALDH1A1
SCHEMBL5127890 0.82 EGLN1 (0.52) EGLN1ALDH1A1SMN1; SMN2
SCHEMBL15458815 0.80 EGLN1 (0.43) RNASEH1EGLN1ALDH1A1MAPT
SCHEMBL15458802 0.79 EGLN1 (0.56) RNASEH1EGLN1PTPN1PTPN2PTPN6
SCHEMBL15458875 0.78 P2RX3 (0.47) RNASEH1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5129033 0.76 ALDH1A1 (0.50) EGLN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL15458869 0.76 EGLN1 (0.47) RNASEH1EGLN1SMN1; SMN2
SCHEMBL5128898 0.74 CALCA (0.50) EGLN1ALDH1A1

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 RNASEH1 643/4885EGLN1 3399/4885NR1H2 3466/4885

“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.