SCHEMBL6499140

SCHEMBL6499140

COc1ccc(C[C@H](Nc2nc3ccc(CN(CCN4CCCCC4)C(=O)O)c(C)c3c(=O)o2)C(=O)N(C)Cc2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.38
CTRB1 P17538 3/20 0.37
SIGMAR1 Q99720 1/20 0.36
NPC1 O15118 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
TACR1 P25103 3/20 0.35
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
AVPR1B P47901 1/20 0.34
USP2 O75604 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
MC4R P32245 1/20 0.34

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
SCHEMBL6498244 0.94 TACR2 (0.39) ELANECTRB1KDM4EHSD17B10ALDH1A1
SCHEMBL6496912 0.89 ELANE (0.42) ELANECTRB1NPC1KDM4EHSD17B10
SCHEMBL6809911 0.89 ELANE (0.44) ELANECTRB1NPC1
SCHEMBL6805858 0.89 TACR2 (0.43) ELANECTRB1KDM4EHSD17B10ALDH1A1
SCHEMBL7442809 0.89 ELANE (0.39) ELANECTRB1NPC1TACR1ALDH1A1
SCHEMBL6805498 0.88 ELANE (0.45) ELANECTRB1NPC1
SCHEMBL6498504 0.87 ELANE (0.42) ELANECTRB1NPC1
SCHEMBL6498961 0.86 ELANE (0.39) ELANECTRB1NPC1TACR1
SCHEMBL6799605 0.86 ELANE (0.41) ELANECTRB1NPC1TSHRTACR1
SCHEMBL6498142 0.84 LMNA (0.41) ELANECTRB1NPC1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20030022895-A1 2-Amino-benzoxazinones for the treatment of viral infections G.D. SEARLE & CO. 2003-01-30 US claimed
US-6380189-B1 FOR TREATING HERPES-RELATED DISORDERS G.D. SEARLE & CO. 2002-04-30 US claimed
EP-0828721-B1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS SEARLE & CO (US) 2001-11-14 EP claimed
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
EP-0828721-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1998-03-18 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 2176/4885CTRB1 2628/4885SIGMAR1 384/4885
US-20050032793-A1 2-amino-benzoxazinones for the treatment of viral infections IFNAR1, IL4I1, ACE2 ELANE 1199/4885CTRB1 1716/4885SIGMAR1 533/4885

“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.