SCHEMBL4989466

SCHEMBL4989466

CC(C)(C)c1ccc(CNC(=N)Nc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.54
LMNA P02545 1/20 0.54
EPHX2 P34913 8/20 0.51
NR1H4 Q96RI1 7/20 0.51
TRPV1 Q8NER1 1/20 0.49
NAMPT P43490 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
XBP1 P17861 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL7168178 0.87 MAOB (0.56) RAB9ASMN1; SMN2MEN1NPC1TP53
SCHEMBL8741867 0.84 MAOB (0.61) RAB9ASMN1; SMN2MEN1NPC1TP53
SCHEMBL6692624 0.80 EPHX2 (0.64) RAB9ALMNAEPHX2NR1H4TRPV1
SCHEMBL16692457 0.78 MEN1 (0.57) RAB9ALMNATRPV1NAMPTSMN1; SMN2
SCHEMBL4989767 0.78 LMNA (0.60) RAB9ALMNAEPHX2NR1H4MEN1
SCHEMBL5923531 0.77 LMNA (0.43) RAB9ALMNAEPHX2NR1H4TRPV1
SCHEMBL13167593 0.76 TRPV1 (0.71) RAB9ALMNAEPHX2NR1H4TRPV1
SCHEMBL6858815 0.75 LMNA (0.56) RAB9ALMNAEPHX2NR1H4TRPV1
SCHEMBL5923365 0.75 RAB9A (0.44) RAB9ALMNAEPHX2NR1H4TRPV1
SCHEMBL6692620 0.75 EPHX2 (0.49) RAB9ALMNAEPHX2NR1H4TRPV1

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-20080171756-A1 N-Substituted Glycine Derivatives: Prolyl Hydroxylase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-07-17 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-20080171756-A1 N-Substituted Glycine Derivatives: Prolyl Hydroxylase Inhibitors HIF1AN, EGLN2, EGLN3 RAB9A 4020/4885LMNA 3270/4885EPHX2 1285/4885

“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.