SCHEMBL13624064

SCHEMBL13624064

CN(CC(=O)O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.51
SMN1; SMN2 Q16637 1/20 0.47
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SRD5A2 P31213 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
SLC6A9 P48067 1/20 0.41
SLC13A5 Q86YT5 2/20 0.41
HDAC1 Q13547 1/20 0.40
MLYCD O95822 1/20 0.40
EPHX2 P34913 1/20 0.40
NPC1 O15118 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
SCHEMBL13336146 0.87 LMNA (0.46) NR1H4SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL20322973 0.84 SLC6A9 (0.46) KEAP1NFE2L2SRD5A2CYP1A2SLC6A9
SCHEMBL14463145 0.83 NR1H4 (0.49) NR1H4SMN1; SMN2KEAP1NFE2L2RAB9A
SCHEMBL9078636 0.80 NR1H4 (0.47) NR1H4SMN1; SMN2KEAP1NFE2L2RAB9A
SCHEMBL6493549 0.80 MLYCD (0.63) SMN1; SMN2NPSR1LMNAMLYCD
SCHEMBL13757716 0.79 MLYCD (0.48) NR1H4SMN1; SMN2KEAP1NFE2L2MEN1
SCHEMBL797850 0.79 CA2 (0.43) KEAP1NFE2L2ALDH1A1
SCHEMBL3348892 0.79 KEAP1 (0.54) SMN1; SMN2KEAP1NFE2L2RAB9AKMT2A
SCHEMBL13624059 0.78 HCRTR2 (0.46) NR1H4SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL196635 0.78 KMT2A (0.49) SMN1; SMN2RAB9AMEN1KMT2ANPSR1

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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF NR1H4 2500/4885SMN1; SMN2 4525/4885KEAP1 369/4885

“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.