SCHEMBL4484701

SCHEMBL4484701

[CH]c1nc(C(=O)OC)co1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 3/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
FBP1 P09467 1/20 0.35
CYP1A2 P05177 2/20 0.34
GAA P10253 1/20 0.34
RECQL P46063 1/20 0.34
NPC1 O15118 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL161081 0.78 DAGLA (0.43) DAGLANPSR1MAPK1KDM4EALDH1A1
SCHEMBL286492 0.78 DAGLA (0.43) DAGLANPSR1MAPK1KDM4EALDH1A1
SCHEMBL1196102 0.77 DAGLA (0.42) DAGLANPSR1MAPK1KDM4EALDH1A1
SCHEMBL25234479 0.77 DAGLA (0.42) DAGLANPSR1MAPK1KDM4EALDH1A1
SCHEMBL1027752 0.77 DAGLA (0.42) DAGLANPSR1MAPK1KDM4EALDH1A1
SCHEMBL4480406 0.77 HDAC1 (0.38) HDAC1HDAC8HDAC6GAANPC1
SCHEMBL4486489 0.77 NPC1 (0.46) KDM4EALDH1A1HDAC1HDAC8HDAC6
SCHEMBL15001329 0.75 SLC6A2 (0.45) DAGLANPSR1MAPK1FBP1SLC6A2
SCHEMBL28945950 0.74 DAGLA (0.40) DAGLANPSR1MAPK1KDM4EALDH1A1
SCHEMBL7324378 0.74 DAGLA (0.40) DAGLANPSR1MAPK1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622464-B2 Morpholinyl-urea derivatives for use in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
EP-1487828-B1 MORPHOLINYL-UREA DERIVATIVES FOR USE OF THE TREATMENT OF INFLAMATORY DISEASES GLAXO GROUP LTD (GB) 2008-11-05 EP disclosed
US-20060063765-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2006-03-23 US disclosed
EP-1487828-A2 MORPHOLINYL-UREA DERIVATIVES FOR USE OF THE TREATMENT OF INFLAMATORY DISEASES GLAXO GROUP LIMITED (GB) 2004-12-22 EP disclosed
WO-2003082861-A2 MORPHOLINYL-UREA DERIVATIVES FOR USE OF THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-10-09 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-20060063765-A1 Novel compounds CCR3, NSUN3, CCR1 DAGLA 4709/4885NPSR1 454/4885MAPK1 2559/4885

“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.