SCHEMBL16352153

SCHEMBL16352153

CC(=O)N(CCC[PH](=O)O)OCc1cccc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.43
HCAR2 Q8TDS4 1/20 0.41
MAOA P21397 2/20 0.41
IDO1 P14902 2/20 0.38
AGXT P21549 2/20 0.38
PARP15 Q460N3 2/20 0.38
PARP14 Q460N5 1/20 0.38
PARP10 Q53GL7 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP12 P39900 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ESR1 P03372 1/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
AR P10275 1/20 0.36

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
SCHEMBL16352155 0.85 MAOB (0.39) MAOBMAOAFFAR1FFAR4
SCHEMBL16352111 0.85 L3MBTL1 (0.45) MAOB
SCHEMBL16352147 0.85 NR4A2 (0.40) AGXTMMP1MMP2MMP9MMP12
SCHEMBL16352133 0.82 MAOB (0.44) MAOBHCAR2MAOAIDO1AGXT
SCHEMBL16352159 0.81 MRGPRX4 (0.39) MAOBMMP2MMP9FFAR4MRGPRX4
SCHEMBL16363233 0.81 MAOB (0.43) MAOBHCAR2MAOAIDO1AGXT
SCHEMBL16352144 0.81 SIGMAR1 (0.38) MAOB
SCHEMBL16352150 0.81 ATM (0.44) MAOBMAOAIDO1
SCHEMBL16352154 0.79 MAOB (0.38) MAOBAGXTPARP10
SCHEMBL16352145 0.78 L3MBTL1 (0.40) IDO1AGXTFFAR1

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-9593136-B2 Compounds for inhibiting 1-deoxy-D-xylulose-5-phosphate reductoisomerase THE GEORGE WASHINGTON UNIVERSITY (US) 2017-03-14 US disclosed
US-20140378418-A1 COMPOUNDS FOR INHIBITING 1-DEOXY-D-XYLULOSE-5-PHOSPHATE REDUCTOISOMERASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2014-12-25 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-20140378418-A1 COMPOUNDS FOR INHIBITING 1-DEOXY-D-XYLULOSE-5-PHOSPHATE REDUCTOISOMERASE DCXR, G6PD, GRHPR MAOB 1531/4885HCAR2 2800/4885MAOA 986/4885

“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.