SCHEMBL6404387

SCHEMBL6404387

Cc1c(NC(=O)OC(C)(C)C)ccc2nc(N(C)CCc3c[nH]c4ccccc34)oc(=O)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.49
ELANE P08246 1/20 0.49
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CDK4 P11802 6/20 0.40
CCND1 P24385 6/20 0.40
P4HB P07237 4/20 0.40
GAA P10253 4/20 0.40
TSHR P16473 1/20 0.40
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
MAOA P21397 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL8476287 0.80 CTRB1 (0.58) CTRB1ELANEMAPTSMN1; SMN2P4HB
SCHEMBL6401805 0.79 CTRB1 (0.60) CTRB1ELANEMAPTCTSLCTSS
SCHEMBL6506692 0.79 CTRB1 (0.62) CTRB1ELANEMAPTSMN1; SMN2P4HB
SCHEMBL6400204 0.78 ELANE (0.65) CTRB1ELANEMAPTPOLB
SCHEMBL6401804 0.77 ELANE (0.54) CTRB1ELANEPOLB
SCHEMBL6401408 0.77 CTRB1 (0.54) CTRB1ELANETSHRPOLBMEN1
SCHEMBL6641432 0.76 CTRB1 (0.48) CTRB1ELANESMN1; SMN2POLBMEN1
SCHEMBL6637014 0.75 CTRB1 (0.48) CTRB1ELANEMAPTSMN1; SMN2TSHR
SCHEMBL6637522 0.75 CTRB1 (0.47) CTRB1ELANESMN1; SMN2GAAPOLB
SCHEMBL6637042 0.75 CTRB1 (0.49) CTRB1ELANESMN1; SMN2POLBMEN1

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-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
US-20050032795-A1 2-Amino-benzoxazinones for the treatment of herpes simplex virus G.D. SEARLE & CO. (US) 2005-02-10 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 1052/4885MAPT 3656/4885

“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.