SCHEMBL5528540

SCHEMBL5528540

O=C(O)C(CC1CCCCC1)C(=O)NCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 5/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
CPB2 Q96IY4 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.43
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
MMP1 P03956 1/20 0.42
FCER2 P06734 1/20 0.42
POLB P06746 2/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL5520892 0.89 EPHX1 (0.52) EPHX1L3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL5520650 0.83 RAB9A (0.61) EPHX1L3MBTL1ALDH1A1SMN1; SMN2NPC1
SCHEMBL5520883 0.80 MAPT (0.54) EPHX1L3MBTL1ALDH1A1GAACPB2
SCHEMBL5520558 0.80 CPB2 (0.62) ALDH1A1SMN1; SMN2CPB2NPC1RAB9A
SCHEMBL5524103 0.78 POLB (0.54) EPHX1ALDH1A1KDM4EMETAP2METAP1
SCHEMBL5518446 0.77 POLB (0.50) EPHX1ALDH1A1KDM4EMETAP2METAP1
SCHEMBL3099808 0.75 EPHX1 (0.59) EPHX1L3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL5521787 0.74 PKM (0.53) ALDH1A1GAASMN1; SMN2CYP2C19
SCHEMBL12196182 0.74 EPHX1 (1.00) EPHX1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1418785 0.73 ALDH1A1 (0.44) EPHX1L3MBTL1ALDH1A1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-10-04 US disclosed
EP-1399146-A4 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARM INC (US) 2006-01-18 EP disclosed
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis AXYS PHARMACEUTICALS, INC. 2004-07-29 US disclosed
EP-1399146-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-24 EP disclosed
WO-2002098406-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO 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 (2 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-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE EPHX1 2078/4885L3MBTL1 4113/4885ALDH1A1 4046/4885
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis CAPNS1, CTSS, CTSV EPHX1 4489/4885L3MBTL1 2733/4885ALDH1A1 3396/4885

“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.