SCHEMBL4481684

SCHEMBL4481684

[CH]c1nc(C(=O)NC(C)C)cs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.39
HPGDS O60760 1/20 0.39
HTT P42858 1/20 0.39
CNR1 P21554 1/20 0.39
OGA O60502 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
HPGD P15428 3/20 0.38
TLR7 Q9NYK1 1/20 0.38
TP53 P04637 1/20 0.38
ABCB1 P08183 2/20 0.38
MLLT1 Q03111 1/20 0.38
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.36
CHRM2 P08172 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
SCHEMBL13631420 0.81 TLR7 (0.53) NPC1RAB9ATSHRSMN1; SMN2HPGDS
SCHEMBL163035 0.81 NPC1 (0.42) NPC1RAB9ATSHRSMN1; SMN2ALDH1A1
SCHEMBL6864627 0.81 NPC1 (0.47) NPC1RAB9ATSHRSMN1; SMN2ALDH1A1
SCHEMBL4480729 0.80 HPGD (0.54) NPC1RAB9ACNR1HPGDTLR7
SCHEMBL26702879 0.79 TLR7 (0.58) NPC1RAB9ATSHRSMN1; SMN2ALDH1A1
SCHEMBL19914329 0.79 NPC1 (0.51) NPC1RAB9ATSHRSMN1; SMN2ALDH1A1
SCHEMBL27316577 0.79 RAB9A (0.44) NPC1RAB9ATSHRSMN1; SMN2ALDH1A1
SCHEMBL17368558 0.79 NPC1 (0.41) NPC1RAB9ATSHRSMN1; SMN2ALDH1A1
SCHEMBL22618720 0.77 ABCB1 (0.41) NPC1RAB9ATSHRSMN1; SMN2ALDH1A1
SCHEMBL29955133 0.77 TSHR (0.40) NPC1RAB9ATSHRSMN1; SMN2ALDH1A1

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.