SCHEMBL5521787

SCHEMBL5521787

O=C(O)C(CC1CCCCC1)C(=O)NCc1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.53
KMT2A Q03164 1/20 0.53
NAMPT P43490 1/20 0.50
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
CYP3A4 P08684 2/20 0.49
GPR132 Q9UNW8 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
RECQL P46063 1/20 0.49
TSHR P16473 2/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
C3AR1 Q16581 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL5525396 0.89 CTSL (0.50) PKMKMT2ANAMPTNCOA1NCOA3
SCHEMBL5520650 0.86 RAB9A (0.61) KMT2ALMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL5520883 0.85 MAPT (0.54) PKMNAMPTCYP3A4GAAMAPT
SCHEMBL5528440 0.81 FPR2 (0.61) PKMNAMPTHTTSMN1; SMN2ALDH1A1
SCHEMBL3211197 0.78 CPB2 (0.72) CYP3A4
SCHEMBL27759893 0.78 CPB2 (0.72) CYP3A4
SCHEMBL3211259 0.78 CPB2 (0.72) CYP3A4
SCHEMBL4715141 0.76 EPHX2 (0.63) TSHRSMN1; SMN2
SCHEMBL10352591 0.76 TSHR (0.67) KMT2ACYP3A4MAPTRECQLTSHR
SCHEMBL10352436 0.76 TSHR (0.67) KMT2ACYP3A4MAPTRECQLTSHR

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 PKM 4622/4885KMT2A 4623/4885NAMPT 244/4885
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis CAPNS1, CTSS, CTSV PKM 4413/4885KMT2A 4281/4885NAMPT 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.