SCHEMBL5490451

SCHEMBL5490451

CCC(O)(NC(=O)OC(C)(C)C)c1nc2ccccc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.44
NPC1 O15118 7/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
TP53 P04637 2/20 0.44
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 4/20 0.40
PKM P14618 1/20 0.40
MAPT P10636 5/20 0.39
RXFP1 Q9HBX9 2/20 0.39
CEPT1 Q9Y6K0 1/20 0.39
EPHX2 P34913 1/20 0.39
BCHE P06276 1/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
TNF P01375 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
F2 P00734 1/20 0.37

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
SCHEMBL5490453 1.00 RAB9A (0.44) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL38661956 0.84 RAB9A (0.45) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL5489548 0.75 FAAH (0.44) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL5489544 0.75 FAAH (0.44) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL3018218 0.74 CA12 (0.43) RAB9ANPC1KMT2AMEN1GAA
SCHEMBL5731096 0.73 RAB9A (0.42) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL13081227 0.73 RAB9A (0.47) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL5466852 0.72 RAB9A (0.40) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL5513719 0.72 RAB9A (0.40) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL23207497 0.71 MAPT (0.47) RAB9ANPC1SMN1; SMN2TP53KMT2A

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-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-11-29 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-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors CTSF, CTSS, CTSE RAB9A 978/4885NPC1 123/4885SMN1; SMN2 4865/4885

“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.