SCHEMBL6807510

SCHEMBL6807510

COc1c(I)cc(C[C@@H](CN2CCCC2)Nc2nc3ccc(NC(=O)[C@@H]4CCCN4C)c(C)c3c(=O)o2)cc1I

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 9/20 0.37
CTRB1 P17538 4/20 0.37
MCHR1 Q99705 3/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL7657656 0.89 ELANE (0.37) ELANECTRB1MCHR1
SCHEMBL6806600 0.88 ELANE (0.37) ELANECTRB1CYP3A4CYP2D6ALDH1A1
SCHEMBL6500402 0.76 ELANE (0.61) ELANECTRB1CYP3A4CYP2D6
SCHEMBL6806250 0.73 CTRB1 (0.41) ELANECTRB1ALDH1A1MEN1KMT2A
SCHEMBL6503996 0.70 ELANE (0.60) ELANECTRB1
SCHEMBL7840236 0.70 ELANE (0.59) ELANECTRB1
SCHEMBL7662984 0.69 ELANE (0.37) ELANECTRB1
SCHEMBL6806815 0.69 CTRB1 (0.53) ELANECTRB1
SCHEMBL7445651 0.69 ELANE (0.58) ELANECTRB1
SCHEMBL6499181 0.67 ELANE (0.35) ELANECTRB1

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-6683077-B2 4H-3,1-BENZOXAZIN-4-ONE COMPOUNDS OF GIVEN FORMULA; HERPES INFECTIONS; ASSEMBLIN PROTEASE INHIBITORS G.D. SEARLE & CO. 2004-01-27 US claimed
US-20030022895-A1 2-Amino-benzoxazinones for the treatment of viral infections G.D. SEARLE & CO. 2003-01-30 US claimed

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-20030022895-A1 2-Amino-benzoxazinones for the treatment of viral infections IFNAR1, IL4I1, HAX1 ELANE 2176/4885CTRB1 2628/4885MCHR1 778/4885

“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.