SCHEMBL4486489

SCHEMBL4486489

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 1/20 0.39
CNR1 P21554 1/20 0.39
HPGD P15428 3/20 0.38
TP53 P04637 1/20 0.38
MLLT1 Q03111 1/20 0.38
KDM4E B2RXH2 2/20 0.37
TBXA2R P21731 1/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC8 Q9BY41 4/20 0.36
HDAC6 Q9UBN7 4/20 0.36
ALOX15 P16050 2/20 0.36
CASP1 P29466 1/20 0.36
MAPT P10636 1/20 0.36
CHRM2 P08172 1/20 0.35
GRM5 P41594 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
SCHEMBL13631425 0.81 NPC1 (0.43) NPC1RAB9ATSHRALDH1A1SMN1; SMN2
SCHEMBL161890 0.81 NPC1 (0.43) NPC1RAB9ATSHRALDH1A1SMN1; SMN2
SCHEMBL4480406 0.80 HDAC1 (0.38) NPC1RAB9ACNR1HPGDHDAC1
SCHEMBL23011857 0.79 SMYD3 (0.49) NPC1RAB9ATSHRALDH1A1SMN1; SMN2
SCHEMBL2304405 0.79 NPC1 (0.42) NPC1RAB9ATSHRALDH1A1SMN1; SMN2
SCHEMBL23193214 0.79 HDAC1 (0.44) NPC1RAB9ATSHRALDH1A1SMN1; SMN2
SCHEMBL22916883 0.78 NPC1 (0.41) NPC1RAB9ATSHRALDH1A1SMN1; SMN2
SCHEMBL22618722 0.77 NPC1 (0.40) NPC1RAB9ATSHRALDH1A1SMN1; SMN2
SCHEMBL4484701 0.77 DAGLA (0.42) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL4487564 0.76 CNR1 (0.39) NPC1RAB9AALDH1A1SMN1; SMN2CNR1

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 3 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

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 NPC1 931/4885RAB9A 1235/4885TSHR 766/4885

“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.