SCHEMBL12420822

SCHEMBL12420822

O=C(O)c1cncc(OCCC2CCCCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
GCK P35557 2/20 0.49
NFE2L2 Q16236 1/20 0.44
FAAH O00519 1/20 0.42
XDH P47989 1/20 0.41
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
LNPEP Q9UIQ6 2/20 0.40
CTSS P25774 1/20 0.40
BMP1 P13497 1/20 0.40
IDO1 P14902 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40

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
SCHEMBL12420761 0.86 GCK (0.45) NPC1RAB9AL3MBTL1GCKNFE2L2
SCHEMBL1532673 0.80 FAAH (0.54) NPC1RAB9AL3MBTL1GCKNFE2L2
SCHEMBL2193712 0.80 KMT2A (0.58) RAB9AGCKNFE2L2KMT2A
SCHEMBL23501666 0.79 NR1H4 (0.49) NPC1RAB9AL3MBTL1GCKXDH
SCHEMBL7316232 0.79 NFE2L2 (0.62) L3MBTL1GCKNFE2L2MEN1KMT2A
SCHEMBL29933864 0.79 NR1H4 (0.49) NPC1RAB9AL3MBTL1GCKXDH
SCHEMBL12420721 0.78 GCK (0.47) GCKNFE2L2PTGESALOX5MEN1
SCHEMBL3931389 0.76 NPC1 (0.47) NPC1RAB9AL3MBTL1MEN1HTT
SCHEMBL12420757 0.74 MAPT (0.54) L3MBTL1GCKNFE2L2XDHPTGES
SCHEMBL12420688 0.74 NFE2L2 (0.52) L3MBTL1GCKNFE2L2PTGESALOX5

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-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 US disclosed
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 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-20110172230-A1 UREA COMPOUND OR SALT THEREOF FAAH, FAAH2, UTS2R NPC1 2409/4885RAB9A 1891/4885L3MBTL1 4818/4885

“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.