SCHEMBL6353530

SCHEMBL6353530

CC(C)(C)OC(=O)N(CC(=O)O)c1ccc2ccccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.42
PRNP P04156 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GBA1 P04062 1/20 0.39
MGAM O43451 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
PAX8 Q06710 1/20 0.37
MAPK10 P53779 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
NOTUM Q6P988 1/20 0.37
GSTO1 P78417 1/20 0.36
CPB2 Q96IY4 1/20 0.36
PDE10A Q9Y233 1/20 0.36
BCHE P06276 1/20 0.36

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
SCHEMBL533622 0.79 GRM5 (0.36) MEN1KMT2AGSTO1
SCHEMBL7500028 0.77 POLB (0.52) MEN1KMT2AGAASMN1; SMN2
SCHEMBL533744 0.77 RAB9A (0.36) NPC1RAB9ANPSR1GSTO1
SCHEMBL9230794 0.77 ADRA1A (0.34) MEN1KMT2ANPC1GAARAB9A
SCHEMBL534621 0.77 GSTO1 (0.34) GBA1PAX8GSTO1L3MBTL1
SCHEMBL6231398 0.77 MGAM (0.44) KDM4EMGAMMEN1KMT2AGAA
SCHEMBL7191809 0.76 ALDH1A1 (0.41) KDM4EMEN1KMT2AGSTO1SMN1; SMN2
SCHEMBL219603 0.76 SMN1; SMN2 (0.49) MEN1KMT2AGSTO1SMN1; SMN2L3MBTL1
SCHEMBL534536 0.76 NR1H2 (0.34) GBA1PAX8GSTO1L3MBTL1
SCHEMBL8709501 0.76 KMT2A (0.43) NCF1PRNPRXFP1KDM4EGBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6878725-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-04-12 US disclosed
US-20040242656-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-12-02 US disclosed
EP-1289972-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2004-09-08 EP disclosed
US-20030078438-A1 Serine protease inhibitors ELI LILLY AND COMPANY 2003-04-24 US 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-20030078438-A1 Serine protease inhibitors HPN, LPXN, PRSS1 NCF1 907/4885PRNP 347/4885RXFP1 380/4885
US-20040242656-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 NCF1 662/4885PRNP 511/4885RXFP1 243/4885

“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.