SCHEMBL4832491

SCHEMBL4832491

CCOC(=O)C(=NO)c1cccc2cccnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 4/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 3/20 0.50
HTT P42858 2/20 0.50
TP53 P04637 1/20 0.50
PARP1 P09874 1/20 0.49
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
MAPT P10636 2/20 0.44
KDR P35968 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL4832487 1.00 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDHSD17B10HTT
SCHEMBL4832881 0.83 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHSD17B10HTT
SCHEMBL4840021 0.81 NSD2 (0.45) ALDH1A1HTTKMT2AMEN1RAB9A
SCHEMBL4840028 0.81 NSD2 (0.45) ALDH1A1HTTKMT2AMEN1RAB9A
SCHEMBL6822984 0.80 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDHSD17B10HTT
SCHEMBL4839065 0.77 CDC25B (0.41) ALDH1A1KDM4EHPGDTP53KMT2A
SCHEMBL4839071 0.77 CDC25B (0.41) ALDH1A1KDM4EHPGDTP53KMT2A
SCHEMBL11550137 0.74 KDM4E (0.48) ALDH1A1KDM4EHPGDHSD17B10HTT
SCHEMBL4840329 0.73 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10HTTKMT2A
SCHEMBL6218406 0.73 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10HTTKMT2A

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351822-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2008-04-01 US disclosed
US-7053078-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2006-05-30 US disclosed
US-6946467-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-09-20 US disclosed
EP-1289954-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2005-09-14 EP disclosed
EP-1289953-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2005-09-07 EP disclosed
US-6936611-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-08-30 US disclosed
US-6900196-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-05-31 US disclosed
US-6878725-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-04-12 US disclosed
EP-1510515-A1 Phenylglycine derivatives as serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-03-02 EP disclosed
US-20040259868-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-12-23 US disclosed
US-20030055246-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-03-20 US disclosed
EP-1289953-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
EP-1289972-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
EP-1289954-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
EP-1289950-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
US-20020151724-A1 Serine protease inhibitors ELI LILLY AND COMPANY 2002-10-17 US disclosed
WO-2001096304-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
WO-2001096303-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
WO-2001096296-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
WO-2001096323-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 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 (3 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-20030055246-A1 Serine protease inhibitors CTRL, CPN1, LOXL1 ALDH1A1 2408/4885KDM4E 3205/4885HPGD 1508/4885
US-20040259868-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 ALDH1A1 2261/4885KDM4E 3503/4885HPGD 407/4885
US-20020151724-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 ALDH1A1 2261/4885KDM4E 3503/4885HPGD 407/4885

“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.