SCHEMBL4426586

SCHEMBL4426586

CCOP(=O)(OCC)C(C/C=N/OCc1ccccc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
FFAR1 O14842 3/20 0.34
GAA P10253 1/20 0.34
SLC5A2 P31639 1/20 0.34

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
SCHEMBL4426588 1.00 MAPT (0.42) MAPTPOLBMEN1KMT2ANPSR1
SCHEMBL4428728 0.88 MAPT (0.41) MAPTPOLBMEN1KMT2ANPSR1
SCHEMBL4428732 0.88 MAPT (0.41) MAPTPOLBMEN1KMT2ANPSR1
SCHEMBL4648901 0.85 SLC6A2 (0.41) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL4648899 0.85 SLC6A2 (0.41) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL4421800 0.83 MEN1 (0.40) MAPTPOLBMEN1KMT2ANPSR1
SCHEMBL4421802 0.83 MEN1 (0.40) MAPTPOLBMEN1KMT2ANPSR1
SCHEMBL4425893 0.77 MAPT (0.44) MAPTPOLBSLC6A2SLC6A4LMNA
SCHEMBL4428141 0.76 MAPT (0.45) MAPTPOLBMEN1KMT2ANPSR1
SCHEMBL29938335 0.76 MAPT (0.45) MAPTPOLBMEN1KMT2ANPSR1

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 4756/4885POLB 1824/4885MEN1 2263/4885

“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.