SCHEMBL6504922

SCHEMBL6504922

COc1ccc(C[C@H](Nc2nc3ccc(CNC(=O)CCc4ccncc4)c(C)c3c(=O)o2)C(=O)N(C)Cc2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
ELANE P08246 3/20 0.39
CTRB1 P17538 2/20 0.39
ALDH1A1 P00352 2/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
TACR1 P25103 1/20 0.35
ENPP2 Q13822 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
SCHEMBL6507176 0.94 LMNA (0.41) MAPTELANECTRB1ALDH1A1NPC1
SCHEMBL6498129 0.90 ELANE (0.44) ELANECTRB1NPC1TACR1
SCHEMBL7451067 0.90 ELANE (0.41) ELANECTRB1PPARGPPARANPC1
SCHEMBL6799605 0.88 ELANE (0.41) ELANECTRB1NPC1LMNATSHR
SCHEMBL6498961 0.86 ELANE (0.39) ELANECTRB1NPC1LMNATACR1
SCHEMBL7829580 0.86 ELANE (0.43) ELANECTRB1ALDH1A1PPARGNPC1
SCHEMBL7447429 0.85 ELANE (0.47) MAPTELANECTRB1ALDH1A1NPC1
SCHEMBL6497427 0.85 ELANE (0.47) MAPTELANECTRB1ALDH1A1NPC1
SCHEMBL7548057 0.85 ELANE (0.42) ELANECTRB1NPC1TACR1
SCHEMBL6806031 0.85 PSMB8 (0.42) ELANECTRB1LMNA

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
EP-0828721-B1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS SEARLE & CO (US) 2001-11-14 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
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 MAPT 3904/4885ELANE 2176/4885CTRB1 2628/4885
US-20050032793-A1 2-amino-benzoxazinones for the treatment of viral infections IFNAR1, IL4I1, ACE2 MAPT 4228/4885ELANE 1199/4885CTRB1 1716/4885

“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.