SCHEMBL4428097

SCHEMBL4428097

CCOP(=O)(OCC)C(CCNOCc1ccccc1)c1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ACHE P22303 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
GAA P10253 2/20 0.39
CNR2 P34972 1/20 0.39
POLB P06746 2/20 0.39
ACP3 P15309 1/20 0.39
ADAM17 P78536 2/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38

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
SCHEMBL4423888 0.91 POLB (0.47) MEN1KMT2ANPSR1ALDH1A1GAA
SCHEMBL4433270 0.89 MEN1 (0.42) NPC1RAB9AMEN1KMT2ANPSR1
SCHEMBL4429339 0.88 MAPT (0.44) NPC1RAB9AMEN1KMT2ANPSR1
SCHEMBL29938335 0.83 MAPT (0.45) NPC1RAB9AMEN1KMT2ANPSR1
SCHEMBL4428141 0.83 MAPT (0.45) NPC1RAB9AMEN1KMT2ANPSR1
SCHEMBL4432420 0.77 ALDH1A1 (0.41) MEN1KMT2ANPSR1CA1CA2
SCHEMBL4426539 0.76 MEN1 (0.44) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL4421800 0.75 MEN1 (0.40) NPC1RAB9AMEN1KMT2ANPSR1
SCHEMBL4421802 0.75 MEN1 (0.40) NPC1RAB9AMEN1KMT2ANPSR1
SCHEMBL4435056 0.74 POLB (0.43) MEN1KMT2ANPSR1ACHECA1

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 4 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
EP-1963344-A1 ORGANOPHOSPHORIC DERIVATIVES USEFUL AS ANTI-PARASITIC AGENTS UNIVERSITEIT GENT (BE) 2008-09-03 EP disclosed
WO-2007071453-A1 ORGANOPHOSPHORIC DERIVATIVES USEFUL AS ANTI-PARASITIC AGENTS UNIVERSITEIT GENT (BE) 2007-06-28 WO 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 NPC1 758/4885RAB9A 2347/4885MEN1 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.