SCHEMBL6803974

SCHEMBL6803974

COc1ccc(C[C@H](Nc2nc3ccc(NC(=O)Cc4cccs4)c(C)c3c(=O)o2)C(=O)N2CCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 3/20 0.43
HPGD P15428 3/20 0.43
TSHR P16473 2/20 0.43
HTT P42858 1/20 0.43
CTRB1 P17538 3/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
POLB P06746 3/20 0.41
USP2 O75604 2/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
DNMT1 P26358 1/20 0.41
PTPN7 P35236 1/20 0.41
MCL1 Q07820 1/20 0.41
ESR2 Q92731 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL7842073 0.88 CTRB1 (0.47) CTRB1KMT2ANPC1RAB9AELANE
SCHEMBL7843279 0.83 ELANE (0.51) ALDH1A1HPGDCTRB1KMT2AMEN1
SCHEMBL6500859 0.82 CTRB1 (0.53) ALDH1A1MAPK1HPGDTSHRCTRB1
SCHEMBL27364609 0.81 ELANE (0.58) CTRB1ELANE
SCHEMBL7840950 0.81 CTRB1 (0.43) TSHRCTRB1KMT2ANPC1RAB9A
SCHEMBL7451745 0.77 ELANE (0.43) ALDH1A1CTRB1KMT2ANPC1RAB9A
SCHEMBL6799137 0.76 CTRB1 (0.39) CTRB1KMT2ANPC1RAB9AELANE
SCHEMBL7831962 0.75 CTRB1 (0.42) ALDH1A1HPGDTSHRCTRB1KMT2A
SCHEMBL27531939 0.75 ELANE (0.57) CTRB1ELANE
SCHEMBL6806250 0.74 CTRB1 (0.41) ALDH1A1MAPK1TSHRHTTCTRB1

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-6380189-B1 FOR TREATING HERPES-RELATED DISORDERS G.D. SEARLE & CO. 2002-04-30 US claimed
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-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 (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 ALDH1A1 1022/4885MAPK1 3269/4885HPGD 3646/4885

“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.