SCHEMBL6402233

SCHEMBL6402233

Cc1c(NC(=O)OC(C)(C)C)ccc(NC(=O)N(C)Cc2ccc(N(C)C)cc2)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNQ4 P56696 3/20 0.43
KCNQ5 Q9NR82 3/20 0.43
ABCC1 P33527 1/20 0.42
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSS P25774 2/20 0.41
MTOR P42345 2/20 0.38
AKT1 P31749 3/20 0.38
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MMP8 P22894 2/20 0.33
MMP13 P45452 2/20 0.33
ELANE P08246 1/20 0.33
CTRB1 P17538 1/20 0.33
CYP17A1 P05093 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL6402953 0.90 ABCC1 (0.53) KCNQ4KCNQ5ABCC1CTSLCTSB
SCHEMBL6402228 0.83 CNR1 (0.47) KCNQ4KCNQ5
SCHEMBL28740739 0.73 ELANE (0.41) ELANECTRB1CYP17A1MEN1KMT2A
SCHEMBL3986782 0.72 METAP2 (0.47) KCNQ4KCNQ5ELANECTRB1CYP17A1
SCHEMBL6397133 0.72 ABCC1 (0.57) ABCC1MTORMEN1KMT2A
SCHEMBL28210980 0.72 BRD9 (0.39) ELANECTRB1CYP17A1MEN1KMT2A
SCHEMBL3988441 0.71 BRD9 (0.38) ELANECTRB1CYP17A1MEN1KMT2A
SCHEMBL6395566 0.71 CISD2 (0.40) ELANECTRB1CYP17A1
SCHEMBL6398932 0.71 ABCC1 (0.59) ABCC1MTORKMT2A
SCHEMBL6402809 0.69 CTRB1 (0.51) KCNQ4KCNQ5CTSSAKT1ELANE

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 5 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
EP-1210088-A4 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF HERPES SIMPLEX VIRUS SEARLE & CO (US) 2003-03-12 EP disclosed
EP-1210088-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF HERPES SIMPLEX VIRUS G.D. SEARLE & CO. (US) 2002-06-05 EP disclosed
WO-2001003697-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF HERPES SIMPLEX VIRUS G.D. SEARLE & CO. (US) 2001-01-18 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 (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 KCNQ4 264/4885KCNQ5 230/4885ABCC1 4017/4885

“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.