SCHEMBL6529037

SCHEMBL6529037

COc1ccc(C[C@H](Nc2nc3c(CN(C(=O)O)C(C)(C)C)ccc(C)c3c(=O)o2)C(=O)N2CCCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.36
KMT2A Q03164 1/20 0.35
CALCRL Q16602 1/20 0.34
CACNA1B Q00975 1/20 0.34
F2 P00734 3/20 0.33
TSHR P16473 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PSMB8 P28062 2/20 0.32
PSMB5 P28074 2/20 0.32
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32
PSMA1 P25786 1/20 0.32
PSMB9 P28065 1/20 0.32
PSMB4 P28070 1/20 0.32
PSMB10 P40306 1/20 0.32

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
SCHEMBL6529038 1.00 ELANE (0.36) ELANEKMT2ACALCRLCACNA1BF2
SCHEMBL6799137 0.89 CTRB1 (0.39) ELANEKMT2ACALCRLCACNA1BF2
SCHEMBL7451265 0.85 LMNA (0.42) ELANEKMT2ACALCRLMAPTSMN1; SMN2
SCHEMBL6809994 0.83 CTRB1 (0.38) ELANEKMT2A
SCHEMBL27364609 0.79 ELANE (0.58) ELANE
SCHEMBL7840950 0.76 CTRB1 (0.43) ELANEKMT2ACALCRLTSHR
SCHEMBL7451745 0.76 ELANE (0.43) ELANEKMT2ACALCRLMAPTSMN1; SMN2
SCHEMBL7842073 0.74 CTRB1 (0.47) ELANEKMT2ACALCRLMAPT
SCHEMBL6807471 0.73 ELANE (0.42) ELANEKMT2A
SCHEMBL27531939 0.73 ELANE (0.57) ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050032793-A1 2-amino-benzoxazinones for the treatment of viral infections G.D. SEARLE & CO. (US) 2005-02-10 US disclosed
US-6683077-B2 4H-3,1-BENZOXAZIN-4-ONE COMPOUNDS OF GIVEN FORMULA; HERPES INFECTIONS; ASSEMBLIN PROTEASE INHIBITORS G.D. SEARLE & CO. 2004-01-27 US disclosed
US-20030022895-A1 2-Amino-benzoxazinones for the treatment of viral infections G.D. SEARLE & CO. 2003-01-30 US disclosed
US-6380189-B1 FOR TREATING HERPES-RELATED DISORDERS G.D. SEARLE & CO. 2002-04-30 US disclosed
EP-0828721-B1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS SEARLE & CO (US) 2001-11-14 EP disclosed
EP-1122245-A2 2-Amino-benzoxazinones for the treatment of viral infections G.D. Searle & Co. (US) 2001-08-08 EP 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-20030022895-A1 2-Amino-benzoxazinones for the treatment of viral infections IFNAR1, IL4I1, HAX1 ELANE 2176/4885KMT2A 1555/4885CALCRL 3080/4885
US-20050032793-A1 2-amino-benzoxazinones for the treatment of viral infections IFNAR1, IL4I1, ACE2 ELANE 1199/4885KMT2A 1859/4885CALCRL 3704/4885

“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.