SCHEMBL5528440

SCHEMBL5528440

O=C(O)C(CC1CCCCC1)C(=O)Nc1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.61
POLB P06746 1/20 0.54
NAMPT P43490 3/20 0.50
ALDH1A1 P00352 2/20 0.48
EPHX2 P34913 1/20 0.47
PKM P14618 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL5520618 0.87 FPR2 (0.53) FPR2POLBNAMPTALDH1A1EPHX2
SCHEMBL5526419 0.85 EPHX2 (0.59) FPR2POLBEPHX2RAB9ASMN1; SMN2
SCHEMBL5521787 0.81 PKM (0.53) NAMPTALDH1A1PKMHTTSMN1; SMN2
SCHEMBL5518423 0.76 KMT2A (0.57) POLBALDH1A1PKMNPC1RAB9A
SCHEMBL22201003 0.76 EPHX2 (0.66) POLBNAMPTALDH1A1EPHX2NPC1
SCHEMBL5532684 0.76 PARP1 (0.53) ALDH1A1PKMNPC1SMN1; SMN2
SCHEMBL7453800 0.75 EPHX1 (0.70) FPR2POLBNAMPTALDH1A1EPHX2
SCHEMBL5532544 0.75 NPY5R (0.66) POLBALDH1A1EPHX2NPC1RAB9A
SCHEMBL5525522 0.75 NPY5R (0.54) POLBALDH1A1EPHX2PKMHTT
SCHEMBL5526277 0.74 PARP15 (0.47) POLBNAMPTEPHX2SMN1; 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 FPR2 2332/4885POLB 2141/4885NAMPT 244/4885
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis CAPNS1, CTSS, CTSV FPR2 2075/4885POLB 2271/4885NAMPT 475/4885

“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.