SCHEMBL6504209

SCHEMBL6504209

Cc1c(CN(CCN(C)C)C(=O)O)ccc2nc(N[C@@H](Cc3ccccc3)C(=O)N(C)Cc3ccccc3)oc(=O)c12

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 5/20 0.46
ELANE P08246 13/20 0.45
RAB9A P51151 1/20 0.36
HPGD P15428 1/20 0.36
HCRTR1 O43613 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL6496912 0.94 ELANE (0.42) CTRB1ELANEHPGD
SCHEMBL6802038 0.94 ELANE (0.48) CTRB1ELANERAB9AHPGDHCRTR1
SCHEMBL6806821 0.93 ELANE (0.47) CTRB1ELANERAB9AHPGDHCRTR1
SCHEMBL6806545 0.89 ELANE (0.43) CTRB1ELANERAB9AHPGDMEN1
SCHEMBL6803263 0.89 ELANE (0.45) CTRB1ELANEHCRTR1
SCHEMBL6805498 0.88 ELANE (0.45) CTRB1ELANEMEN1KMT2A
SCHEMBL6809911 0.88 ELANE (0.44) CTRB1ELANERAB9A
SCHEMBL6497830 0.88 LMNA (0.45) CTRB1ELANERAB9AMEN1KMT2A
SCHEMBL6805858 0.87 TACR2 (0.43) CTRB1ELANE
SCHEMBL6801413 0.87 ELANE (0.46) CTRB1ELANERAB9AHPGD

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
EP-0828721-B1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS SEARLE & CO (US) 2001-11-14 EP claimed
US-20050009843-A1 Medicine for inhibiting drug elimination pump TRINE PHARMACEUTICALS, INC. 2005-01-13 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 2628/4885ELANE 2176/4885RAB9A 1233/4885
US-20050009843-A1 Medicine for inhibiting drug elimination pump ABCB11, ATP6AP1, HRH2 CTRB1 296/4885ELANE 479/4885RAB9A 625/4885

“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.