SCHEMBL5518446

SCHEMBL5518446

N#CCNC(=O)C(CC1CCCCC1)C(=O)NCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CTSL P07711 4/20 0.47
CTSS P25774 4/20 0.47
CTSK P43235 2/20 0.47
CTSB P07858 1/20 0.47
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
CTSV O60911 2/20 0.42
PTPN1 P18031 1/20 0.42
ACKR3 P25106 1/20 0.42
EPHX1 P07099 1/20 0.42
KLKB1 P03952 1/20 0.42
AKR1B1 P15121 1/20 0.41
PSMB1 P20618 1/20 0.41

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 0.88 EPHX1 (0.52) POLBKDM4EALDH1A1CTSLCTSS
SCHEMBL5524103 0.88 POLB (0.54) POLBKDM4EALDH1A1CTSSOPRM1
SCHEMBL5520634 0.84 CTSK (0.60) CTSLCTSSCTSKCTSBCTSV
SCHEMBL5520642 0.78 CTSL (0.73) POLBCTSLCTSSCTSKCTSB
SCHEMBL5525396 0.78 CTSL (0.50) ALDH1A1CTSLCTSSCTSKCTSB
SCHEMBL5520633 0.78 CPB2 (0.55) KDM4EALDH1A1CTSLCTSSCTSK
SCHEMBL5522902 0.77 CTSL (0.51) POLBALDH1A1CTSLCTSSCTSK
SCHEMBL5528540 0.77 EPHX1 (0.58) POLBKDM4EALDH1A1CYP2C19EPHX1
SCHEMBL5528697 0.76 CTSK (0.57) CTSLCTSSCTSKCTSBEPHX1
SCHEMBL5518458 0.76 CTSS (0.53) CTSLCTSSCTSKCTSBMETAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis AXYS PHARMACEUTICALS, INC. 2004-07-29 US claimed
US-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-10-04 US disclosed
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis AXYS PHARMACEUTICALS, INC. 2004-07-29 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 (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 POLB 2141/4885KDM4E 4386/4885ALDH1A1 4046/4885
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis CAPNS1, CTSS, CTSV POLB 2271/4885KDM4E 4064/4885ALDH1A1 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.