SCHEMBL6801336

SCHEMBL6801336

CCN(Cc1ccccc1)C(=O)[C@H](Cc1ccc(OC)cc1)Nc1nc2c(Br)cc(CN(C(=O)O)C(C)(C)C)c(C)c2c(=O)o1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.38
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.34
TSPO P30536 1/20 0.34
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
LMNA P02545 1/20 0.33
BAX Q07812 1/20 0.32
PIN1 Q13526 1/20 0.32
USP2 O75604 1/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL6801293 0.92 ELANE (0.41) ELANETSHRTSPOPTPN2PTPN1
SCHEMBL6805137 0.90 ELANE (0.39) ELANETSHRTSPOPTPN2PTPN1
SCHEMBL6497577 0.90 ELANE (0.40) ELANETSHRTSPOPTPN2PTPN1
SCHEMBL6803240 0.88 ELANE (0.43) ELANEPOLBLMNAUSP2
SCHEMBL7445664 0.88 ELANE (0.40) ELANETSHRTSPOPTPN2PTPN1
SCHEMBL6804618 0.86 ELANE (0.41) ELANETSHRTSPOPPARGLMNA
SCHEMBL6505024 0.86 ELANE (0.40) ELANELMNANPC1
SCHEMBL6505448 0.83 ELANE (0.40) ELANETSHRTSPOLMNAPIN1
SCHEMBL6506922 0.83 ELANE (0.41) ELANELMNANPC1
SCHEMBL6802565 0.82 ELANE (0.46) ELANENPC1

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 6 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 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
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
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 ELANE 2176/4885TSHR 1583/4885POLB 2432/4885

“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.