SCHEMBL6801929

SCHEMBL6801929

Cc1c(N(C(=O)O)C(C)(C)C)ccc2nc(NC(Cc3cc(I)c(O)c(I)c3)C(=O)N3CCN(C)CC3)oc(=O)c12

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 11/20 0.37
CTRB1 P17538 4/20 0.37
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
CYP3A4 P08684 2/20 0.31
UGCG Q16739 2/20 0.31
AVPR1B P47901 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
SCHEMBL6801921 1.00 ELANE (0.37) ELANECTRB1MMP1MMP3MMP9
SCHEMBL6801750 0.93 ELANE (0.37) ELANECTRB1
SCHEMBL6809949 0.86 ELANE (0.43) ELANECTRB1
SCHEMBL6504801 0.85 ELANE (0.40) ELANECTRB1
SCHEMBL6504060 0.83 ELANE (0.40) ELANECTRB1
SCHEMBL6497251 0.83 ELANE (0.38) ELANECTRB1
SCHEMBL7441297 0.82 ELANE (0.53) ELANECTRB1AVPR1B
SCHEMBL7441286 0.82 ELANE (0.53) ELANECTRB1AVPR1B
SCHEMBL6504052 0.81 ELANE (0.39) ELANECTRB1AVPR1B
SCHEMBL6526856 0.80 ELANE (0.44) 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 5 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
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 disclosed
US-20030022895-A1 2-Amino-benzoxazinones for the treatment of viral infections G.D. SEARLE & CO. 2003-01-30 US disclosed
US-6380189-B1 FOR TREATING HERPES-RELATED DISORDERS G.D. SEARLE & CO. 2002-04-30 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-20030022895-A1 2-Amino-benzoxazinones for the treatment of viral infections IFNAR1, IL4I1, HAX1 ELANE 2176/4885CTRB1 2628/4885MMP1 3925/4885

“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.