SCHEMBL6508140

SCHEMBL6508140

Cc1c(N)ccc2[nH]c(=O)oc(=O)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
NOS1 P29475 3/20 0.42
NOS2 P35228 2/20 0.41
F2 P00734 1/20 0.41
CFD P00746 1/20 0.41
MAOA P21397 6/20 0.39
MAOB P27338 6/20 0.39
NOS3 P29474 1/20 0.39
PDGFRA P16234 1/20 0.37
MAPK8 P45983 1/20 0.37
CDK5 Q00535 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CREBBP Q92793 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
SCHEMBL10756217 0.82 F2 (0.43) ESR1ESR2NOS1NOS2F2
SCHEMBL4492747 0.82 NOS1 (0.44) ESR1ESR2NOS1NOS2F2
SCHEMBL522732 0.79 NOS1 (0.44) ESR1ESR2NOS1NOS2F2
SCHEMBL4490244 0.77 AR (0.45) NOS1NOS2F2CFDMAOA
SCHEMBL6496075 0.77 NOS1 (0.40) NOS1NOS2F2CFDMAOA
SCHEMBL17203101 0.75 F2 (0.52) ESR1ESR2NOS1NOS2F2
SCHEMBL5331026 0.74 CDK1 (0.41) NOS1NOS2F2CFDMAOA
SCHEMBL6496586 0.73 CREBBP (0.38) ESR1ESR2NOS1NOS2F2
SCHEMBL4491356 0.72 NOS1 (0.42) ESR1ESR2NOS1NOS2F2
SCHEMBL4502778 0.72 NOS1 (0.42) ESR1ESR2NOS1NOS2F2

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 9 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
US-5985872-A THERAPEUTIC TREATMENT OF HERPES VIRAL INFECTION G.D. SEARLE & CO. (US) 1999-11-16 US 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 ESR1 2952/4885ESR2 1527/4885NOS1 4351/4885
US-20050032793-A1 2-amino-benzoxazinones for the treatment of viral infections IFNAR1, IL4I1, ACE2 ESR1 2243/4885ESR2 1567/4885NOS1 4366/4885

“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.