SCHEMBL16352131

SCHEMBL16352131

CC(=O)N(CCCP(C)(C)=O)OCc1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.39
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
MAOA P21397 3/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMPD1 P17405 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FOLH1 Q04609 1/20 0.33

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
SCHEMBL16363813 0.90 MAOB (0.39) MAOBKDM4EMAPTALDH1A1HPGD
SCHEMBL16352132 0.88 RAB9A (0.38) MAOBMAPTALDH1A1POLBL3MBTL1
SCHEMBL16352119 0.86 RXRA (0.39) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL16364155 0.85 FPR2 (0.36) MAOBKDM4EMAPTALDH1A1HPGD
SCHEMBL16352120 0.85 L3MBTL1 (0.40) L3MBTL1
SCHEMBL16352128 0.82 EPHX1 (0.40) KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL16352126 0.81 ATM (0.43) MAOBMAOAKMT2AMEN1SMN1; SMN2
SCHEMBL1016824 0.80 MAOB (0.44) MAOBKDM4EMAPTALDH1A1HPGD
SCHEMBL16352121 0.80 SLC1A3 (0.40) MAOB
SCHEMBL16352130 0.80 PPARG (0.39) L3MBTL1

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 1531/4885KDM4E 1136/4885MAPT 3121/4885

“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.