SCHEMBL6497728

SCHEMBL6497728

COc1ccc(C[C@H](Nc2nc3ccc(CN(C(=O)O)C(C)(C)C)c(C)c3c(=O)o2)C(=O)Nc2ccc(C)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.38
HDAC8 Q9BY41 4/20 0.37
CTRB1 P17538 3/20 0.37
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
USP30 Q70CQ3 3/20 0.35
IDO1 P14902 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL6917846 0.95 ELANE (0.38) ELANEHDAC8CTRB1PTPN2PTPN1
SCHEMBL6807471 0.85 ELANE (0.42) ELANECTRB1KMT2A
SCHEMBL6799137 0.84 CTRB1 (0.39) ELANECTRB1CACNA1BKMT2A
SCHEMBL6805471 0.84 ELANE (0.43) ELANECTRB1
SCHEMBL6803240 0.84 ELANE (0.43) ELANECTRB1LMNA
SCHEMBL6807016 0.83 ELANE (0.41) ELANECTRB1KDM4EMEN1KMT2A
SCHEMBL6809994 0.83 CTRB1 (0.38) ELANECTRB1HPGDALDH1A1KDM4E
SCHEMBL6498899 0.82 ELANE (0.38) ELANECTRB1KMT2A
SCHEMBL6498662 0.82 ELANE (0.41) ELANECTRB1LMNAMEN1KMT2A
SCHEMBL8624376 0.79 ELANE (0.43) ELANECTRB1KMT2A

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 7 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
WO-1996037485-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1996-11-28 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 (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 2176/4885HDAC8 750/4885CTRB1 2628/4885
US-20050032793-A1 2-amino-benzoxazinones for the treatment of viral infections IFNAR1, IL4I1, ACE2 ELANE 1199/4885HDAC8 733/4885CTRB1 1716/4885

“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.