SCHEMBL6499165

SCHEMBL6499165

Cc1cccc2nc(N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)oc(=O)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 2/20 0.56
ICAM1 P05362 2/20 0.56
ITGAL P20701 2/20 0.56
MAPT P10636 3/20 0.54
PKM P14618 1/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
ELANE P08246 7/20 0.53
CTRB1 P17538 3/20 0.52
POLB P06746 2/20 0.52
TP53 P04637 1/20 0.52
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 1/20 0.49
ALOX15 P16050 1/20 0.48

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
SCHEMBL27490972 0.91 ELANE (0.64) ITGB2ICAM1ITGALMAPTELANE
SCHEMBL6594113 0.91 ELANE (0.64) ITGB2ICAM1ITGALMAPTELANE
SCHEMBL6593941 0.88 ELANE (0.53) ITGB2ICAM1ITGALMAPTELANE
SCHEMBL27477556 0.88 ELANE (0.53) ITGB2ICAM1ITGALMAPTELANE
SCHEMBL8545277 0.86 MAPT (0.59) ITGB2ICAM1ITGALMAPTPKM
SCHEMBL6499915 0.82 ELANE (0.62) ELANECTRB1
SCHEMBL27493723 0.82 ELANE (0.62) ELANECTRB1
SCHEMBL6506692 0.81 CTRB1 (0.62) MAPTPKMHPGDHTTELANE
SCHEMBL6506092 0.78 ELANE (0.61) ELANECTRB1
SCHEMBL20011754 0.76 ALOX15 (0.59) ITGB2ICAM1ITGALMAPTPKM

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 16 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 claimed
EP-1122245-B1 2-Amino-benzoxazinones for the treatment of viral infections SEARLE & CO (US) 2004-07-07 EP claimed
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-1122245-A2 2-Amino-benzoxazinones for the treatment of viral infections G.D. Searle & Co. (US) 2001-08-08 EP claimed
WO-1996037485-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1996-11-28 WO claimed
US-20050032793-A1 2-amino-benzoxazinones for the treatment of viral infections G.D. SEARLE & CO. (US) 2005-02-10 US disclosed
EP-1122245-B1 2-Amino-benzoxazinones for the treatment of viral infections SEARLE & CO (US) 2004-07-07 EP 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
US-5985872-A THERAPEUTIC TREATMENT OF HERPES VIRAL INFECTION G.D. SEARLE & CO. (US) 1999-11-16 US 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 ITGB2 4238/4885ICAM1 4374/4885ITGAL 4471/4885
US-20050032793-A1 2-amino-benzoxazinones for the treatment of viral infections IFNAR1, IL4I1, ACE2 ITGB2 4064/4885ICAM1 4704/4885ITGAL 4361/4885

“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.