SCHEMBL6401805

SCHEMBL6401805

Cc1c(NC(=O)OC(C)(C)C)ccc2nc(N(C)Cc3ccccc3)oc(=O)c12

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 3/20 0.60
ELANE P08246 2/20 0.60
HDAC6 Q9UBN7 1/20 0.42
P2RX7 Q99572 1/20 0.40
AKT1 P31749 3/20 0.39
CTSL P07711 2/20 0.37
CTSB P07858 2/20 0.37
CTSS P25774 2/20 0.37
BRD4 O60885 1/20 0.36
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
KCNQ4 P56696 1/20 0.34
KCNQ5 Q9NR82 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
SCHEMBL6402809 0.91 CTRB1 (0.51) CTRB1ELANEHDAC6P2RX7AKT1
SCHEMBL6398072 0.90 CTRB1 (0.51) CTRB1ELANEHDAC6MAPTKCNQ4
SCHEMBL6401408 0.88 CTRB1 (0.54) CTRB1ELANEP2RX7
SCHEMBL6403560 0.85 HDAC6 (0.50) CTRB1ELANEHDAC6MAPT
SCHEMBL6401804 0.84 ELANE (0.54) CTRB1ELANEP2RX7ATM
SCHEMBL6400204 0.84 ELANE (0.65) CTRB1ELANEP2RX7MAPTATM
SCHEMBL6500227 0.83 CTRB1 (0.59) CTRB1ELANEHDAC6P2RX7BRD4
SCHEMBL6637376 0.80 CTRB1 (0.49) CTRB1ELANECTSLCTSBCTSS
SCHEMBL6637653 0.80 CTRB1 (0.51) CTRB1ELANEP2RX7CTSLCTSB
SCHEMBL7437409 0.80 ELANE (0.65) CTRB1ELANEP2RX7CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-1210088-A4 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF HERPES SIMPLEX VIRUS SEARLE & CO (US) 2003-03-12 EP claimed
EP-1210088-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF HERPES SIMPLEX VIRUS G.D. SEARLE & CO. (US) 2002-06-05 EP claimed
WO-2001003697-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF HERPES SIMPLEX VIRUS G.D. SEARLE & CO. (US) 2001-01-18 WO 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 1052/4885HDAC6 1999/4885

“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.