SCHEMBL6402812

SCHEMBL6402812

Cc1c(NC(=O)OC(C)(C)C)ccc2nc(NCCc3ccc(N(C)C)cc3)oc(=O)c12

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.56
CTRB1 P17538 3/20 0.56
KCNQ4 P56696 3/20 0.34
KCNQ5 Q9NR82 3/20 0.34
LCK P06239 1/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL6504081 0.89 ELANE (0.67) ELANECTRB1
SCHEMBL6402809 0.82 CTRB1 (0.51) ELANECTRB1KCNQ4KCNQ5LCK
SCHEMBL6866267 0.82 ELANE (0.80) ELANECTRB1LCK
SCHEMBL6637344 0.78 ELANE (0.51) ELANECTRB1
SCHEMBL6638795 0.77 ELANE (0.61) ELANECTRB1LCKCTSSCTSK
SCHEMBL6508215 0.77 ELANE (0.51) ELANECTRB1
SCHEMBL6636149 0.77 CTRB1 (0.53) ELANECTRB1LCKCCNCCDK8
SCHEMBL6713458 0.76 ELANE (0.53) ELANECTRB1
SCHEMBL6637600 0.76 ELANE (0.57) ELANECTRB1CTSK
SCHEMBL6636428 0.76 ELANE (0.57) ELANECTRB1KCNQ4KCNQ5LCK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050032795-A1 2-Amino-benzoxazinones for the treatment of herpes simplex virus G.D. SEARLE & CO. (US) 2005-02-10 US disclosed
US-6806269-B1 EFFECTIVE AT LOWER CONCENTRATIONS; SUCH AS 6-(((1,1-DIMETHYL-ETHOXY)CARBONYL)AMINO)-5-METHYL-2-(METHYL(PHENYLMETHYL) -AMINO)-4H-3,1-BENZOXAZIN-4-ONE G. D. SEARLE & COP 2004-10-19 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-20050032795-A1 2-Amino-benzoxazinones for the treatment of herpes simplex virus GABBR1, GABBR2, EBNA1BP2 ELANE 1052/4885CTRB1 3288/4885KCNQ4 264/4885

“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.