SCHEMBL5422673

SCHEMBL5422673

[CH2]C(=O)Nc1ccc(C(N)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
KDM4E B2RXH2 2/20 0.54
KMT2A Q03164 5/20 0.53
MAPT P10636 1/20 0.53
BCAT2 O15382 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
MAPK1 P28482 1/20 0.51
F2 P00734 2/20 0.50
PRSS1 P07477 2/20 0.50
PLG P00747 1/20 0.50
PLAU P00749 1/20 0.50
KLKB1 P03952 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
TMPRSS6 Q8IU80 1/20 0.50
ST14 Q9Y5Y6 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL9566474 0.85 SMN1; SMN2 (0.46) ALDH1A1L3MBTL1KDM4EKMT2AMAPT
SCHEMBL14047972 0.84 PEPD (0.64) ALDH1A1L3MBTL1KDM4EKMT2AMAPT
SCHEMBL19611839 0.82 ALDH1A1 (0.58) ALDH1A1L3MBTL1KDM4EKMT2AMAPT
SCHEMBL13210699 0.82 KMT2A (0.73) ALDH1A1L3MBTL1KDM4EKMT2AMAPT
SCHEMBL4531285 0.80 ALDH1A1 (0.67) ALDH1A1L3MBTL1KDM4EKMT2AMAPT
SCHEMBL1999045 0.80 F2 (0.59) ALDH1A1L3MBTL1KDM4EKMT2AMAPT
SCHEMBL2906442 0.80 SMN1; SMN2 (0.61) ALDH1A1L3MBTL1KDM4EKMT2AMAPT
SCHEMBL6357758 0.79 TGM2 (0.61) ALDH1A1L3MBTL1KDM4EKMT2AMAPT
Hydrochloric Acid SCHEMBL11226180 0.78 F2 (0.57) ALDH1A1L3MBTL1KDM4EKMT2AMAPT
SCHEMBL16866619 0.78 RXFP1 (0.59) ALDH1A1L3MBTL1KDM4EKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 US claimed
EP-1383748-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-01-28 EP claimed
WO-2002051983-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 WO claimed
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 US disclosed
EP-1694357-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2006-08-30 EP disclosed
WO-2005058348-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2005-06-30 WO disclosed
EP-1383748-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-01-28 EP disclosed
WO-2002051983-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 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 (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-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE ALDH1A1 4046/4885L3MBTL1 4113/4885KDM4E 4386/4885

“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.