SCHEMBL3027853

SCHEMBL3027853

Cc1cc(NCC(N)=O)no1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
EGFR P00533 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 2/20 0.51
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
GAPDH P04406 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
TSHR P16473 2/20 0.46
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL8336741 0.77 CYP2C19 (0.57) ALDH1A1GAAMAPTNPC1RAB9A
SCHEMBL5027914 0.77 SYK (0.46) ALDH1A1EGFRGAAMAPTNPC1
SCHEMBL172042 0.77 MAPT (0.65) ALDH1A1EGFRGAAMAPTNPC1
Hydrochloric Acid SCHEMBL27853305 0.76 MAPT (0.62) ALDH1A1EGFRGAAMAPTNPC1
Hydrochloric Acid SCHEMBL30500286 0.74 MAPT (0.61) ALDH1A1EGFRGAAMAPTNPC1
SCHEMBL1799520 0.74
SCHEMBL3027858 0.73 ALDH1A1 (0.51) ALDH1A1EGFRGAAMAPTNPC1
SCHEMBL149196 0.73 GAA (0.56) ALDH1A1EGFRGAAMAPTNPC1
SCHEMBL1888991 0.72 MAPT (0.69) ALDH1A1EGFRGAAMAPTNPC1
SCHEMBL691738 0.72 HTT (0.44) ALDH1A1EGFRGAAMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658267-B1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2009-10-14 EP claimed
US-7314872-B2 Inhibitors of cathepsin S IRM LLC (BM) 2008-01-01 US claimed
EP-1658267-A4 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2007-08-01 EP claimed
JP-2007502836-A 2007-02-15 JP claimed
EP-1658267-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2006-05-24 EP claimed
US-20050113356-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-05-26 US claimed
WO-2005034848-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2005-04-21 WO claimed
US-20100204200-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2010-08-12 US disclosed
US-7732449-B2 Inhibitors of cathepsin S IRM LLC (BM) 2010-06-08 US disclosed
EP-1658267-B1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2009-10-14 EP disclosed
US-20090137570-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2009-05-28 US disclosed
US-7501408-B2 Inhibitors of cathepsin S IRM LLC (BM) 2009-03-10 US disclosed
US-20080108595-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-05-08 US disclosed
US-7314872-B2 Inhibitors of cathepsin S IRM LLC (BM) 2008-01-01 US disclosed
EP-1658267-A4 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2007-08-01 EP disclosed
EP-1658267-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2006-05-24 EP disclosed
US-20050113356-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-05-26 US disclosed
WO-2005034848-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2005-04-21 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 (4 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-20090137570-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ ALDH1A1 3512/4885EGFR 1883/4885GAA 23/4885
US-20080108595-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ ALDH1A1 3512/4885EGFR 1883/4885GAA 23/4885
US-20050113356-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ ALDH1A1 3512/4885EGFR 1883/4885GAA 23/4885
US-20100204200-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSE, CTSV ALDH1A1 2502/4885EGFR 1617/4885GAA 95/4885

“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.