SCHEMBL4474331

SCHEMBL4474331

[CH]C1=C(C)OCN1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 4/20 0.35
ATM Q13315 1/20 0.35
GRM2 Q14416 5/20 0.33
HSD11B1 P28845 1/20 0.32
LMNA P02545 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
DRD2 P14416 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL657557 0.82 SIGMAR1 (0.38) SIGMAR1NPC1RAB9AMEN1KMT2A
SCHEMBL7738036 0.77 SIGMAR1 (0.36) SIGMAR1NPC1RAB9AMEN1KMT2A
SCHEMBL10410991 0.73 MEN1 (0.37) SIGMAR1NPC1RAB9AMEN1KMT2A
SCHEMBL10410989 0.73 NPC1 (0.37) SIGMAR1NPC1RAB9AMEN1KMT2A
SCHEMBL7730849 0.72 GRM2 (0.33) SIGMAR1NPC1RAB9AMEN1KMT2A
SCHEMBL3362762 0.67 NPC1 (0.52) SIGMAR1NPC1RAB9AMEN1KMT2A
SCHEMBL11995116 0.64 ABCG2 (0.41) SIGMAR1NPC1RAB9AMEN1KMT2A
SCHEMBL18637449 0.63 SIGMAR1 (0.46) SIGMAR1NPC1RAB9AMEN1KMT2A
SCHEMBL9871349 0.63 ATM (0.51) SIGMAR1NPC1RAB9AMEN1KMT2A
SCHEMBL3895281 0.60 NPC1 (0.44) SIGMAR1NPC1RAB9AMEN1KMT2A

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 SIGMAR1 128/4885NPC1 931/4885RAB9A 1235/4885

“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.