SCHEMBL6507279

SCHEMBL6507279

COc1ccc(C[C@H](Nc2nc3ccc(N(C(=O)O)C(C)(C)C)c(C)c3c(=O)o2)C(=O)NCc2ccccn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.39
CTRB1 P17538 3/20 0.39
ALDH1A1 P00352 4/20 0.38
TSHR P16473 3/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 4/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL6506533 0.93 KMT2A (0.40) ELANECTRB1ALDH1A1HPGDKMT2A
SCHEMBL6640437 0.84 CTRB1 (0.55) ELANECTRB1ALDH1A1TSHRHPGD
SCHEMBL6803497 0.83 ELANE (0.44) ELANECTRB1
SCHEMBL6805263 0.82 ELANE (0.44) ELANECTRB1
SCHEMBL7842064 0.79 CTRB1 (0.45) ELANECTRB1ALDH1A1KMT2A
SCHEMBL6500582 0.77 ELANE (0.49) ELANECTRB1KMT2A
SCHEMBL6801672 0.77 ELANE (0.49) ELANECTRB1HPGD
SCHEMBL7666146 0.76 ELANE (0.47) ELANECTRB1ALDH1A1TSHRKMT2A
SCHEMBL6507450 0.75 ELANE (0.47) ELANECTRB1
SCHEMBL6805157 0.75 ELANE (0.40) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 ELANE 2176/4885CTRB1 2628/4885ALDH1A1 1022/4885
US-20050032793-A1 2-amino-benzoxazinones for the treatment of viral infections IFNAR1, IL4I1, ACE2 ELANE 1199/4885CTRB1 1716/4885ALDH1A1 1858/4885

“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.