SCHEMBL6503716

SCHEMBL6503716

Cc1c(CNC(=O)CN2CCN(C)CC2)ccc2nc(N[C@@H](C)c3ccccc3)oc(=O)c12

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 8/20 0.56
ELANE P08246 9/20 0.52
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6498490 0.93 CTRB1 (0.58) CTRB1ELANEMEN1KMT2ANPSR1
SCHEMBL6505085 0.92 CTRB1 (0.56) CTRB1ELANEMEN1KMT2ANPSR1
SCHEMBL6501347 0.88 CTRB1 (0.70) CTRB1ELANEMEN1KMT2AALDH1A1
SCHEMBL6496017 0.83 CTRB1 (0.77) CTRB1ELANE
SCHEMBL6497583 0.81 CTRB1 (0.72) CTRB1ELANEALDH1A1NPC1
SCHEMBL6505879 0.81 CTRB1 (0.53) CTRB1ELANE
SCHEMBL6503756 0.80 CTRB1 (0.70) CTRB1ELANEALDH1A1NPC1LMNA
SCHEMBL6508212 0.79 ELANE (0.76) CTRB1ELANE
SCHEMBL6497334 0.76 ELANE (0.68) CTRB1ELANE
SCHEMBL6505357 0.75 ELANE (0.66) CTRB1ELANENPC1

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 7 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-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 (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-20050032793-A1 2-amino-benzoxazinones for the treatment of viral infections IFNAR1, IL4I1, ACE2 CTRB1 1716/4885ELANE 1199/4885MEN1 4124/4885

“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.