SCHEMBL2877472

SCHEMBL2877472

CC(C)ONC(=O)c1c[c]cnc1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.32
TP53 P04637 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPK1 P28482 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
HSD17B10 Q99714 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
ROCK2 O75116 2/20 0.31
ROCK1 Q13464 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL12614924 0.82 XDH (0.46) XDHALDH1A1KDM4EMAPTHSD17B10
SCHEMBL2884934 0.82 ALDH1A1 (0.35) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL3448625 0.76 MKNK1 (0.40) SMN1; SMN2ALDH1A1KDM4EMKNK1MKNK2
SCHEMBL30384869 0.73 RAB9A (0.58) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL309169 0.73 ALDH1A1 (0.50) XDHALDH1A1KDM4EMAPK1MAPT
SCHEMBL3374359 0.73 XDH (0.33) XDHTP53NPC1RAB9ASMN1; SMN2
SCHEMBL3725252 0.72 GAA (0.39) KDM4EKMT2AMEN1
SCHEMBL14995083 0.71 MAOA (0.56) TP53ALDH1A1KDM4EMAPK1KMT2A
SCHEMBL16277692 0.71 P4HTM (0.45)
SCHEMBL309392 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MSD K.K. (JP) 2010-12-23 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-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MC1R, MCHR1, MCHR2 XDH 666/4885TP53 4844/4885NPC1 825/4885

“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.