SCHEMBL14769154

SCHEMBL14769154

O=[N+]([O-])c1ccc(CP(=O)(O)O)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
SLC2A1 P11166 1/20 0.44
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43
PGK1 P00558 1/20 0.42
PGK2 P07205 1/20 0.42
CA1 P00915 2/20 0.41
AKR1C3 P42330 1/20 0.41
CA12 O43570 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41
CA2 P00918 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 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
SCHEMBL1126175 0.79 ADRA2A (0.49) ADRA2AADRA2BADRA2CSLC2A1CYP1A2
SCHEMBL14658480 0.76 TSHR (0.55) ADRA2AADRA2BADRA2CSLC2A1CYP1A2
SCHEMBL3096453 0.75 MAPT (0.45) ADRA2AADRA2BADRA2CSLC2A1CYP1A2
SCHEMBL15986775 0.75 MAPT (0.45) ADRA2AADRA2BADRA2CSLC2A1CYP1A2
SCHEMBL14399403 0.75 MAPT (0.45) ADRA2AADRA2BADRA2CSLC2A1CYP1A2
SCHEMBL5380629 0.75 CYP1A2 (0.47) ADRA2AADRA2BADRA2CSLC2A1CYP1A2
SCHEMBL4873349 0.75 MAPT (0.45) ADRA2AADRA2BADRA2CSLC2A1CYP1A2
SCHEMBL31456058 0.75 LOXL2 (0.52) ADRA2AADRA2BADRA2CSLC2A1CYP1A2
SCHEMBL29394347 0.75 MAPT (0.45) ADRA2AADRA2BADRA2CSLC2A1CYP1A2
SCHEMBL2728868 0.75 CYP1A2 (0.49) ADRA2AADRA2BADRA2CSLC2A1CYP1A2

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 2 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

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-20130065857-A1 NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY DDX18, FPR1, DCXR ADRA2A 3787/4885ADRA2B 3923/4885ADRA2C 4195/4885

“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.