SCHEMBL2760459

SCHEMBL2760459

O=NC[C@H](c1ccccc1N=O)C(C(=O)c1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.36
TDP1 Q9NUW8 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 2/20 0.34
CES1 P23141 2/20 0.34
CES2 O00748 1/20 0.34
ALKBH5 Q6P6C2 1/20 0.33
PGR P06401 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
KCNH2 Q12809 1/20 0.33
MAPT P10636 2/20 0.32
MAPK1 P28482 2/20 0.32
HTT P42858 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL2760475 0.81 TDP1 (0.50) MDM2TDP1L3MBTL1LMNACES1
SCHEMBL2760490 0.80 POLB (0.50) L3MBTL1LMNAMAPTHTTNPC1
SCHEMBL2760488 0.80 CTNNB1 (0.47) TDP1HTTNPC1RAB9AALDH1A1
SCHEMBL2760491 0.79 MDM2 (0.33) MDM2TDP1L3MBTL1LMNACES1
SCHEMBL2760476 0.75 NPC1 (0.44) TDP1L3MBTL1LMNACES1CES2
SCHEMBL2760487 0.75 CES2 (0.43) TDP1L3MBTL1LMNACES1CES2
SCHEMBL10051823 0.73 ALDH1A1 (0.41) MDM2TDP1L3MBTL1ALDH1A1PTPN1
SCHEMBL10051878 0.73 CES2 (0.40) MDM2TDP1L3MBTL1LMNACES1
SCHEMBL10052270 0.72 MEN1 (0.44) TDP1L3MBTL1LMNACES1CES2
SCHEMBL10051875 0.71 L3MBTL1 (0.52) TDP1L3MBTL1LMNACES1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004424-A1 MICHAEL REACTION WITH RECOVERY OF THE CATALYST NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-01-05 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-20120004424-A1 MICHAEL REACTION WITH RECOVERY OF THE CATALYST CYP2E1, CYP11B2, CYP11B1 MDM2 1479/4885TDP1 1348/4885L3MBTL1 4681/4885

“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.