SCHEMBL6496362

SCHEMBL6496362

Cc1c(NC(=O)CN2CCCC2)ccc2nc(N[C@](C)(C=O)N3CCOCC3)oc(=O)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.41
ELANE P08246 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 4/20 0.37
GAA P10253 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RAD52 P43351 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 4/20 0.36
TOP2A P11388 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
SCHEMBL6504133 0.84 CTRB1 (0.43) CTRB1ELANESMN1; SMN2HTTKDM4E
SCHEMBL27477564 0.81 CTRB1 (0.45) CTRB1ELANESMN1; SMN2HTTKDM4E
SCHEMBL6503756 0.75 CTRB1 (0.70) CTRB1ELANESMN1; SMN2KDM4EGAA
SCHEMBL6499627 0.75 CTRB1 (0.47) CTRB1ELANESMN1; SMN2HTTKDM4E
SCHEMBL6498652 0.75 CTRB1 (0.49) CTRB1ELANESMN1; SMN2KDM4EGAA
SCHEMBL6497583 0.75 CTRB1 (0.72) CTRB1ELANEKDM4EGLANPC1
SCHEMBL6505801 0.74 CTRB1 (0.42) CTRB1ELANESMN1; SMN2HTTKDM4E
SCHEMBL6803969 0.73 CTRB1 (0.49) CTRB1ELANESMN1; SMN2HTTKDM4E
SCHEMBL6806250 0.71 CTRB1 (0.41) CTRB1ELANESMN1; SMN2HTTKDM4E
SCHEMBL6501347 0.68 CTRB1 (0.70) CTRB1ELANESMN1; SMN2HTTKDM4E

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 10 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
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
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 CTRB1 2628/4885ELANE 2176/4885SMN1; SMN2 1354/4885
US-20050032793-A1 2-amino-benzoxazinones for the treatment of viral infections IFNAR1, IL4I1, ACE2 CTRB1 1716/4885ELANE 1199/4885SMN1; SMN2 1274/4885

“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.