SCHEMBL6497583

SCHEMBL6497583

Cc1c(NC(=O)CN2CCCC2)ccc2nc(N[C@@H](C)c3ccccc3)oc(=O)c12

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 8/20 0.72
ELANE P08246 9/20 0.64
NPC1 O15118 1/20 0.47
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 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
SCHEMBL6501347 0.93 CTRB1 (0.70) CTRB1ELANEKDM4EITGA4ITGB7
SCHEMBL6503756 0.93 CTRB1 (0.70) CTRB1ELANENPC1KDM4EGLA
SCHEMBL6498490 0.88 CTRB1 (0.58) CTRB1ELANENPC1
SCHEMBL6498365 0.84 CTRB1 (1.00) CTRB1ELANE
SCHEMBL6505357 0.83 ELANE (0.66) CTRB1ELANENPC1
SCHEMBL6498652 0.82 CTRB1 (0.49) CTRB1ELANEKDM4EGLAALDH1A1
SCHEMBL6503716 0.81 CTRB1 (0.56) CTRB1ELANENPC1ALDH1A1
SCHEMBL6505085 0.81 CTRB1 (0.56) CTRB1ELANENPC1KDM4EGLA
SCHEMBL6506560 0.81 ELANE (0.73) CTRB1ELANE
SCHEMBL6497243 0.81 CTRB1 (0.80) 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-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-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
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 (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 2176/4885NPC1 2233/4885
US-20050032793-A1 2-amino-benzoxazinones for the treatment of viral infections IFNAR1, IL4I1, ACE2 CTRB1 1716/4885ELANE 1199/4885NPC1 2840/4885

“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.