SCHEMBL6803969

SCHEMBL6803969

Cc1c(NC(=O)CN2CCN(C)CC2)ccc2nc(N[C@@H](C)C(=O)N3CCCC3)oc(=O)c12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 3/20 0.49
ELANE P08246 6/20 0.43
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C19 P33261 1/20 0.39
BRPF1 P55201 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.36
RAD52 P43351 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL6800770 0.85 CTRB1 (0.67) CTRB1ELANEALDH1A1
SCHEMBL27479612 0.84 ELANE (0.50) CTRB1ELANE
SCHEMBL6501347 0.84 CTRB1 (0.70) CTRB1ELANEMEN1KMT2ACYP2C19
SCHEMBL6806432 0.81 CTRB1 (0.44) CTRB1ELANEPOLBMEN1KMT2A
SCHEMBL6497583 0.80 CTRB1 (0.72) CTRB1ELANEALDH1A1KDM4E
SCHEMBL6505801 0.78 CTRB1 (0.42) CTRB1ELANEALDH1A1SMN1; SMN2KDM4E
SCHEMBL6504133 0.77 CTRB1 (0.43) CTRB1ELANEMEN1KMT2AALDH1A1
SCHEMBL27514914 0.77 ELANE (0.41) CTRB1ELANE
SCHEMBL27479613 0.76 CTRB1 (0.45) CTRB1ELANEKMT2ASMN1; SMN2
SCHEMBL6503756 0.76 CTRB1 (0.70) CTRB1ELANEALDH1A1SMN1; SMN2KDM4E

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-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-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 (1 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 2176/4885POLB 2432/4885

“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.