SCHEMBL6806250

SCHEMBL6806250

COc1c(I)cc(C[C@H](Nc2nc3ccc(NC(=O)CN4CCOCC4)c(C)c3c(=O)o2)C(=O)N2CCCC2)cc1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 3/20 0.41
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALOX15 P16050 1/20 0.40
ELANE P08246 2/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 2/20 0.37
USP2 O75604 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
KDM4E B2RXH2 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
WNT3A P56704 4/20 0.35
HTT P42858 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL6806815 0.89 CTRB1 (0.53) CTRB1ELANE
SCHEMBL6806600 0.83 ELANE (0.37) CTRB1ELANEALDH1A1KMT2AMEN1
SCHEMBL6505801 0.81 CTRB1 (0.42) CTRB1MAPTSMN1; SMN2ELANEALDH1A1
SCHEMBL7842073 0.79 CTRB1 (0.47) CTRB1MAPTELANEKMT2A
SCHEMBL6806432 0.77 CTRB1 (0.44) CTRB1MAPTELANEKMT2AMEN1
SCHEMBL6504133 0.76 CTRB1 (0.43) CTRB1MAPTSMN1; SMN2ELANEALDH1A1
SCHEMBL6503756 0.75 CTRB1 (0.70) CTRB1MAPTSMN1; SMN2ELANEALDH1A1
SCHEMBL6503996 0.75 ELANE (0.60) CTRB1ELANE
SCHEMBL6803969 0.74 CTRB1 (0.49) CTRB1SMN1; SMN2ELANEALDH1A1KMT2A
SCHEMBL7840236 0.74 ELANE (0.59) CTRB1ELANE

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 9 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-6380189-B1 FOR TREATING HERPES-RELATED DISORDERS G.D. SEARLE & CO. 2002-04-30 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
EP-0828721-B1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS SEARLE & CO (US) 2001-11-14 EP disclosed
EP-1122245-A2 2-Amino-benzoxazinones for the treatment of viral infections G.D. Searle & Co. (US) 2001-08-08 EP disclosed
US-5985872-A THERAPEUTIC TREATMENT OF HERPES VIRAL INFECTION G.D. SEARLE & CO. (US) 1999-11-16 US disclosed
WO-1996037485-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1996-11-28 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-20030022895-A1 2-Amino-benzoxazinones for the treatment of viral infections IFNAR1, IL4I1, HAX1 CTRB1 2628/4885MAPT 3904/4885SMN1; SMN2 1354/4885

“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.