SCHEMBL6498244

SCHEMBL6498244

COc1ccc(C[C@H](Nc2nc3ccc(CN(CCN4CCOCC4)C(=O)O)c(C)c3c(=O)o2)C(=O)N(C)Cc2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 3/20 0.39
CASR P41180 1/20 0.39
HSD17B10 Q99714 2/20 0.38
ELANE P08246 3/20 0.38
MMP12 P39900 1/20 0.37
PSMB8 P28062 4/20 0.37
PSMB5 P28074 3/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
PSMB9 P28065 2/20 0.37
PSMB1 P20618 1/20 0.37
PSMB10 P40306 1/20 0.37
PSMB2 P49721 1/20 0.37
CTRB1 P17538 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL6805858 0.95 TACR2 (0.43) TACR2CASRHSD17B10ELANEKDM4E
SCHEMBL6499140 0.94 ELANE (0.38) HSD17B10ELANEKDM4EALDH1A1CTRB1
SCHEMBL7446639 0.89 TACR2 (0.40) TACR2HSD17B10ELANEPSMB8PSMB5
SCHEMBL6496912 0.89 ELANE (0.42) HSD17B10ELANEKDM4EALDH1A1CTRB1
SCHEMBL6809911 0.89 ELANE (0.44) ELANECTRB1
SCHEMBL6806031 0.87 PSMB8 (0.42) TACR2ELANEMMP12PSMB8PSMB5
SCHEMBL6805498 0.87 ELANE (0.45) ELANECTRB1
SCHEMBL6498504 0.86 ELANE (0.42) ELANECTRB1
SCHEMBL6799605 0.85 ELANE (0.41) ELANECTRB1LMNA
SCHEMBL6498142 0.84 LMNA (0.41) HSD17B10ELANEKDM4EALDH1A1CTRB1

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 11 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
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 TACR2 2505/4885CASR 1610/4885HSD17B10 946/4885
US-20050032793-A1 2-amino-benzoxazinones for the treatment of viral infections IFNAR1, IL4I1, ACE2 TACR2 2649/4885CASR 1884/4885HSD17B10 827/4885

“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.