SCHEMBL4421802

SCHEMBL4421802

CCOP(=O)(OCC)C(CC=NOCc1ccccc1)c1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
PLAU P00749 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 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
SCHEMBL4421800 1.00 MEN1 (0.40) MEN1KMT2ANPSR1ALDH1A1TSHR
SCHEMBL4428732 0.88 MAPT (0.41) MEN1KMT2ANPSR1ALDH1A1POLB
SCHEMBL4428728 0.88 MAPT (0.41) MEN1KMT2ANPSR1ALDH1A1POLB
SCHEMBL4649856 0.85 ACP3 (0.49) ALDH1A1TSHRTUBB4ATUBBTUBA3C
SCHEMBL4649855 0.85 ACP3 (0.49) ALDH1A1TSHRTUBB4ATUBBTUBA3C
SCHEMBL4426588 0.83 MAPT (0.42) MEN1KMT2ANPSR1ALDH1A1POLB
SCHEMBL4426586 0.83 MAPT (0.42) MEN1KMT2ANPSR1ALDH1A1POLB
SCHEMBL4435060 0.76 CA12 (0.45) ALDH1A1POLBACP3CA12CA1
SCHEMBL4428097 0.75 NPC1 (0.44) MEN1KMT2ANPSR1ALDH1A1TSHR
SCHEMBL4432420 0.74 ALDH1A1 (0.41) MEN1KMT2ANPSR1ALDH1A1TSHR

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 MEN1 2263/4885KMT2A 2089/4885NPSR1 521/4885

“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.