SCHEMBL6506533

SCHEMBL6506533

COc1ccc(C[C@H](Nc2nc3ccc(N(C(=O)O)C(C)(C)C)c(C)c3c(=O)o2)C(=O)NCCc2ccccn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
RAB9A P51151 1/20 0.39
ELANE P08246 6/20 0.38
CTRB1 P17538 4/20 0.38
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP3A4 P08684 2/20 0.35
PTGFR P43088 1/20 0.35
CAPN1 P07384 2/20 0.35
CTSS P25774 1/20 0.35
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL6507279 0.93 ELANE (0.39) KMT2AELANECTRB1ALDH1A1CYP3A4
SCHEMBL7842064 0.86 CTRB1 (0.45) KMT2ARAB9AELANECTRB1ALDH1A1
SCHEMBL6803497 0.82 ELANE (0.44) RAB9AELANECTRB1TDP1
SCHEMBL6805263 0.81 ELANE (0.44) ELANECTRB1
SCHEMBL7447369 0.81 RAB9A (0.38) KMT2ARAB9AELANEALDH1A1CYP3A4
SCHEMBL6640437 0.77 CTRB1 (0.55) KMT2AELANECTRB1ALDH1A1CYP3A4
SCHEMBL6500582 0.76 ELANE (0.49) KMT2AELANECTRB1
SCHEMBL6801672 0.76 ELANE (0.49) RAB9AELANECTRB1HPGD
SCHEMBL7666146 0.75 ELANE (0.47) KMT2AELANECTRB1ALDH1A1CYP3A4
SCHEMBL6507450 0.74 ELANE (0.47) ELANECTRB1

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 11 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
EP-0828721-B1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS SEARLE & CO (US) 2001-11-14 EP 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
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 KMT2A 1555/4885RAB9A 1233/4885ELANE 2176/4885
US-20050032793-A1 2-amino-benzoxazinones for the treatment of viral infections IFNAR1, IL4I1, ACE2 KMT2A 1859/4885RAB9A 2034/4885ELANE 1199/4885

“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.