SCHEMBL6804745

SCHEMBL6804745

Cc1c(N(C(=O)O)C(C)(C)C)ccc2nc(NC(C)(C)C(=O)NCCCN(C)C)oc(=O)c12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.40
CTRB1 P17538 3/20 0.40
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 1/20 0.34
BDKRB2 P30411 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 2/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30
TOP2A P11388 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL6804736 0.86 ELANE (0.42) ELANECTRB1
SCHEMBL7449580 0.80 CTRB1 (0.55) ELANECTRB1MEN1KMT2AHTT
SCHEMBL6803274 0.79 ELANE (0.53) ELANECTRB1
SCHEMBL6504052 0.78 ELANE (0.39) ELANECTRB1MEN1KMT2AHTT
SCHEMBL6505531 0.77 ELANE (0.42) ELANECTRB1
SCHEMBL6805301 0.77 ELANE (0.48) ELANECTRB1
SCHEMBL6500528 0.75 ELANE (0.51) ELANECTRB1ALDH1A1
SCHEMBL6803278 0.75 ELANE (0.48) ELANECTRB1
SCHEMBL6504097 0.73 ELANE (0.42) ELANECTRB1
SCHEMBL6506933 0.73 ELANE (0.36) 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-5985872-A THERAPEUTIC TREATMENT OF HERPES VIRAL INFECTION G.D. SEARLE & CO. (US) 1999-11-16 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

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 ELANE 2176/4885CTRB1 2628/4885MEN1 3993/4885

“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.