SCHEMBL1584769

SCHEMBL1584769

O=c1cc(Cc2ccccc2)[nH]cc1O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DAO P14920 4/20 0.53
TYR P14679 1/20 0.49
IDH1 O75874 2/20 0.49
HCAR2 Q8TDS4 1/20 0.45
BCL2 P10415 1/20 0.44
BCL2L1 Q07817 1/20 0.44
APP P05067 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ADORA1 P30542 1/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PARP1 P09874 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
SCHEMBL24993805 0.78 DAO (0.47) DAOHCAR2SMN1; SMN2ADORA1PARP1
SCHEMBL10936216 0.74 HCAR2 (0.50) DAOHCAR2MEN1KMT2A
SCHEMBL10892930 0.74 APP (0.40) DAOTYRAPP
SCHEMBL7934352 0.74 TYR (0.41) DAOTYRHCAR2APP
SCHEMBL16231848 0.73 COMT (0.52) MEN1KMT2A
SCHEMBL28003390 0.72 TYR (0.72) TYR
SCHEMBL4140429 0.72 TYR (0.39) DAOTYRHCAR2APP
SCHEMBL13422405 0.72 DAO (0.45) DAOTYRHCAR2APP
SCHEMBL28127868 0.71 DAO (0.50) DAOHCAR2SMN1; SMN2ADORA1MEN1
SCHEMBL10941367 0.70 HPGD (0.42) DAOIDH1HCAR2BCL2BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130065857-A1 NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY BAYLOR COLLEGE OF MEDICINE (US) 2013-03-14 US disclosed
US-20130065857-A1 NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY BAYLOR COLLEGE OF MEDICINE (US) 2013-03-14 US disclosed
US-20130065857-A1 NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY BAYLOR COLLEGE OF MEDICINE (US) 2013-03-14 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
WO-2011046920-A1 NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY BAYLOR COLLEGE OF MEDICINE (US) 2011-04-21 WO disclosed
WO-2011046920-A1 NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY BAYLOR COLLEGE OF MEDICINE (US) 2011-04-21 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 (2 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-20130065857-A1 NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY DDX18, FPR1, DCXR DAO 438/4885TYR 1063/4885IDH1 1207/4885
US-20120329842-A1 SMALL MOLECULE COMPOUNDS AS BROAD-SPECTRUM INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, MGAM2, BPGM DAO 117/4885TYR 3137/4885IDH1 1498/4885

“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.