SCHEMBL4428728

SCHEMBL4428728

CCOP(=O)(OCC)C(C/C=N/OCc1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 1/20 0.40
POLB P06746 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL4428732 1.00 MAPT (0.41) MAPTMEN1KMT2ANPSR1TP53
SCHEMBL4426586 0.88 MAPT (0.42) MAPTMEN1KMT2ANPSR1POLB
SCHEMBL4426588 0.88 MAPT (0.42) MAPTMEN1KMT2ANPSR1POLB
SCHEMBL4421800 0.88 MEN1 (0.40) MAPTMEN1KMT2ANPSR1POLB
SCHEMBL4421802 0.88 MEN1 (0.40) MAPTMEN1KMT2ANPSR1POLB
SCHEMBL4689913 0.84 ACP3 (0.43) MAPTMEN1KMT2ATP53POLB
SCHEMBL4689914 0.84 ACP3 (0.43) MAPTMEN1KMT2ATP53POLB
SCHEMBL4423967 0.75 L3MBTL1 (0.44) MAPTMEN1KMT2ANPSR1POLB
SCHEMBL4425878 0.74 ACP3 (0.53) MEN1KMT2APPARGPPARA
SCHEMBL4425880 0.74 ACP3 (0.53) MEN1KMT2APPARGPPARA

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-7638505-B2 Organophosphoric derivatives useful as anti-parasitic agents UNIVERSITEIT GENT (BE) 2009-12-29 US disclosed
US-20080312190-A1 Such as 3-(N-hydroxyacetamido)-1-(3,4-dichlorophenyl)propylphosphonic acid; Antimalaria agents UNIVERSITEIT GENT (BE) 2008-12-18 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-20080312190-A1 Such as 3-(N-hydroxyacetamido)-1-(3,4-dichlorophenyl)propylphosphonic acid; Antimalaria agents SUB1, CBR1, NAT1 MAPT 4756/4885MEN1 2263/4885KMT2A 2089/4885

“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.