SCHEMBL6402809

SCHEMBL6402809

Cc1c(NC(=O)OC(C)(C)C)ccc2nc(N(C)Cc3ccc(N(C)C)cc3)oc(=O)c12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.51
ELANE P08246 2/20 0.51
KCNQ4 P56696 3/20 0.39
KCNQ5 Q9NR82 3/20 0.39
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
P2RX7 Q99572 1/20 0.32
P2RX3 P56373 1/20 0.32
LCK P06239 1/20 0.32
AKT1 P31749 2/20 0.31
CYP17A1 P05093 1/20 0.31
MAPT P10636 2/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL6401805 0.91 CTRB1 (0.60) CTRB1ELANEKCNQ4KCNQ5CTSS
SCHEMBL6398072 0.90 CTRB1 (0.51) CTRB1ELANEKCNQ4KCNQ5HDAC6
SCHEMBL6401804 0.83 ELANE (0.54) CTRB1ELANEP2RX7P2RX3LCK
SCHEMBL6402812 0.82 ELANE (0.56) CTRB1ELANEKCNQ4KCNQ5CTSS
SCHEMBL6401408 0.82 CTRB1 (0.54) CTRB1ELANEP2RX7
SCHEMBL6400204 0.80 ELANE (0.65) CTRB1ELANEP2RX7LCKMAPT
SCHEMBL6866267 0.78 ELANE (0.80) CTRB1ELANELCK
SCHEMBL6500227 0.78 CTRB1 (0.59) CTRB1ELANEHDAC6P2RX7LCK
SCHEMBL6637522 0.77 CTRB1 (0.47) CTRB1ELANECYP17A1
SCHEMBL6637260 0.77 CTRB1 (0.46) CTRB1ELANECYP17A1

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 3 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 claimed
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 CTRB1 3288/4885ELANE 1052/4885KCNQ4 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.