SCHEMBL6533191

SCHEMBL6533191

N#Cc1ccc(N2CC[C@H](N)C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
POLB P06746 1/20 0.43
FNTA P49354 6/20 0.41
FNTB P49356 6/20 0.41
PGGT1B P53609 5/20 0.41
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
KCNH2 Q12809 1/20 0.39
GRM2 Q14416 1/20 0.39
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.38
APEX1 P27695 1/20 0.38
ROCK2 O75116 3/20 0.38
KDM1A O60341 1/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL5181549 1.00 HDAC1 (0.49) HDAC1HDAC8HDAC6POLBFNTA
Hydrochloric Acid SCHEMBL7413199 0.98 HDAC1 (0.48) HDAC1HDAC8HDAC6POLBFNTA
Hydrochloric Acid SCHEMBL7413194 0.98 HDAC1 (0.48) HDAC1HDAC8HDAC6POLBFNTA
SCHEMBL7800632 0.81 HDAC1 (0.49) HDAC1HDAC8HDAC6POLBFNTA
SCHEMBL18048600 0.78 ROCK2 (0.47) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL14635821 0.78 FPR2 (0.45) TP53CYP3A4TSHRTDP1MAPT
SCHEMBL14275582 0.78 HDAC6 (0.46) HDAC1HDAC8HDAC6KCNH2CYP3A4
SCHEMBL14275589 0.78 FPR2 (0.45) TP53CYP3A4TSHRTDP1MAPT
SCHEMBL4329501 0.78 FPR2 (0.45) TP53CYP3A4TSHRTDP1MAPT
SCHEMBL4333242 0.78 HTT (0.47) KDM4ETP53CYP3A4TSHRTDP1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-5986107-A Process for the preparation of a 2-oxopyrrolidine compound G. D. SEARLE & CO. (US) 1999-11-16 US 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
WO-1996017827-A1 PROCESS FOR THE PREPARATION OF AMIDINO PHENYL PYRROLIDINE β-ALANINE UREA ANALOGS G.D. SEARLE & CO. (US) 1996-06-13 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 HDAC1 374/4885HDAC8 750/4885HDAC6 634/4885
US-20050032793-A1 2-amino-benzoxazinones for the treatment of viral infections IFNAR1, IL4I1, ACE2 HDAC1 435/4885HDAC8 733/4885HDAC6 487/4885

“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.