SCHEMBL6504081

SCHEMBL6504081

Cc1c(NC(=O)OC(C)(C)C)ccc2nc(NCCc3ccccc3)oc(=O)c12

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 14/20 0.67
CTRB1 P17538 3/20 0.67
HDAC6 Q9UBN7 1/20 0.41
P2RX7 Q99572 1/20 0.40
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL6402812 0.89 ELANE (0.56) ELANECTRB1
SCHEMBL6508215 0.87 ELANE (0.51) ELANECTRB1HDAC6
SCHEMBL6506565 0.85 ELANE (0.53) ELANECTRB1HDAC6ALDH1A1
SCHEMBL6638795 0.84 ELANE (0.61) ELANECTRB1P2RX7
SCHEMBL6496223 0.83 ELANE (0.72) ELANECTRB1P2RX7ALDH1A1
SCHEMBL6498375 0.82 CTRB1 (0.68) ELANECTRB1HDAC6ALDH1A1
SCHEMBL6496069 0.82 ELANE (0.50) ELANECTRB1HDAC6ALDH1A1
SCHEMBL6507159 0.82 ELANE (0.47) ELANECTRB1HDAC6ALDH1A1
SCHEMBL7837321 0.81 ELANE (0.70) ELANECTRB1ALDH1A1
SCHEMBL6637600 0.81 ELANE (0.57) ELANECTRB1P2RX7

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 17 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
EP-0828721-B1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS SEARLE & CO (US) 2001-11-14 EP claimed
EP-1122245-A2 2-Amino-benzoxazinones for the treatment of viral infections G.D. Searle & Co. (US) 2001-08-08 EP claimed
US-5985872-A THERAPEUTIC TREATMENT OF HERPES VIRAL INFECTION G.D. SEARLE & CO. (US) 1999-11-16 US claimed
US-20050032793-A1 2-amino-benzoxazinones for the treatment of viral infections G.D. SEARLE & CO. (US) 2005-02-10 US disclosed
US-20050009886-A1 1,4-Dihydropyridine derivative with a guaiacoxypropanolamine and/or phenoxypropanolamine moiety CHEN ING-JUN (TW) 2005-01-13 US disclosed
US-6794399-B2 BETA-ADRENORECEPTOR AND CALCIUM CHANNEL BLOCKING AGENT; INDUCED VASORELAXING EFFECT CHEN ING-JUN (TW) 2004-09-21 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-20020156109-A1 1,4-dihydropyridine derivative with a guaiacoxypropanolamine and/or phenoxypropanolamine moiety CHEN ING-JUN (TW) 2002-10-24 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
EP-1108710-A1 GUAIACOXYPROPANOLAMINES WITH ALPHA/BETA-ADRENERGIC BLOCKING ACTIVITY Cheng, Ing-Jun (TW) 2001-06-20 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 (4 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 2628/4885HDAC6 634/4885
US-20050032793-A1 2-amino-benzoxazinones for the treatment of viral infections IFNAR1, IL4I1, ACE2 ELANE 1199/4885CTRB1 1716/4885HDAC6 487/4885
US-20020156109-A1 1,4-dihydropyridine derivative with a guaiacoxypropanolamine and/or phenoxypropanolamine moiety ADRA1D, ADRA2C, ADRB3 ELANE 4732/4885CTRB1 3465/4885HDAC6 3992/4885
US-20050009886-A1 1,4-Dihydropyridine derivative with a guaiacoxypropanolamine and/or phenoxypropanolamine moiety ADRB3, ADRB1, ADRA1D ELANE 4187/4885CTRB1 2212/4885HDAC6 4139/4885

“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.