SCHEMBL13701784

SCHEMBL13701784

CC(C)(C)NC(=O)c1cccc(C(=O)Nc2ccccn2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.60
NPC1 O15118 7/20 0.60
SIRT2 Q8IXJ6 1/20 0.57
SMN1; SMN2 Q16637 5/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
TP53 P04637 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
F2 P00734 1/20 0.53
TLR4 O00206 1/20 0.53
TLR2 O60603 1/20 0.53
PKM P14618 3/20 0.52
TSHR P16473 3/20 0.51
HTT P42858 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 1/20 0.50
FLT3 P36888 1/20 0.49

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
SCHEMBL14438266 0.82 NPC1 (0.55) RAB9ANPC1SIRT2SMN1; SMN2L3MBTL1
SCHEMBL2943454 0.81 RAB9A (0.66) RAB9ANPC1SIRT2SMN1; SMN2L3MBTL1
SCHEMBL8556579 0.81 GRM5 (0.67) RAB9ANPC1SIRT2SMN1; SMN2L3MBTL1
SCHEMBL16996704 0.81 RAB9A (0.66) RAB9ANPC1SIRT2SMN1; SMN2L3MBTL1
SCHEMBL13702329 0.81 NPC1 (0.60) RAB9ANPC1SIRT2SMN1; SMN2L3MBTL1
SCHEMBL10943062 0.81 NPC1 (0.60) RAB9ANPC1SIRT2SMN1; SMN2L3MBTL1
SCHEMBL13611929 0.80 KAT6A (0.55) SIRT2
SCHEMBL21249304 0.80 LMNA (0.58) RAB9ANPC1SMN1; SMN2KMT2AHTT
SCHEMBL6327544 0.79 NPC1 (0.55) RAB9ANPC1SIRT2SMN1; SMN2L3MBTL1
SCHEMBL29366822 0.78 RAB9A (0.89) RAB9ANPC1SMN1; SMN2L3MBTL1NPSR1

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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX RAB9A 2708/4885NPC1 1477/4885SIRT2 2651/4885

“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.