SCHEMBL6507176

SCHEMBL6507176

COc1ccc(C[C@H](Nc2nc3ccc(CNC(=O)CCc4cccnc4)c(C)c3c(=O)o2)C(=O)N(C)Cc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.38
KCNK3 O14649 1/20 0.38
KCNH2 Q12809 1/20 0.38
CTRB1 P17538 2/20 0.38
ELANE P08246 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 1/20 0.36
ENPP2 Q13822 1/20 0.36
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
POLB P06746 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
SCHEMBL6504922 0.94 MAPT (0.39) LMNAMAPTALDH1A1CTRB1ELANE
SCHEMBL6498129 0.89 ELANE (0.44) CTRB1ELANENPC1
SCHEMBL6498142 0.88 LMNA (0.41) LMNAALDH1A1CTRB1ELANENPC1
SCHEMBL8659635 0.87 LMNA (0.39) LMNAMAPTALDH1A1CTRB1ELANE
SCHEMBL7844510 0.87 CTRB1 (0.45) LMNAMAPTALDH1A1KCNK3KCNH2
SCHEMBL7840392 0.86 LMNA (0.46) LMNACTRB1ELANEPOLB
SCHEMBL7452566 0.85 ELANE (0.43) LMNAALDH1A1CTRB1ELANECYP3A4
SCHEMBL6498961 0.85 ELANE (0.39) LMNACTRB1ELANENPC1
SCHEMBL7451067 0.85 ELANE (0.41) LMNACTRB1ELANENPC1
SCHEMBL6497427 0.84 ELANE (0.47) LMNAMAPTALDH1A1CTRB1ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380189-B1 FOR TREATING HERPES-RELATED DISORDERS G.D. SEARLE & CO. 2002-04-30 US claimed
EP-0828721-B1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS SEARLE & CO (US) 2001-11-14 EP claimed
US-20050113346-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors WYETH HOLDINGS CORPORATION 2005-05-26 US disclosed
US-20050032793-A1 2-amino-benzoxazinones for the treatment of viral infections G.D. SEARLE & CO. (US) 2005-02-10 US disclosed
EP-1144368-B1 ACETYLENIC ALPHA-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS WYETH CORP (US) 2004-07-14 EP 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-20030008849-A1 Acetylenic alpha -amino acid-based sulfonamide hydroxamic acid tace inhibitors LEVIN JEREMY I (US) 2003-01-09 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
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 LMNA 2849/4885MAPT 3904/4885ALDH1A1 1022/4885
US-20030008849-A1 Acetylenic alpha -amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 LMNA 2409/4885MAPT 2138/4885ALDH1A1 716/4885
US-20050032793-A1 2-amino-benzoxazinones for the treatment of viral infections IFNAR1, IL4I1, ACE2 LMNA 2211/4885MAPT 4228/4885ALDH1A1 1858/4885
US-20050113346-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, MMP12 LMNA 2044/4885MAPT 1753/4885ALDH1A1 1103/4885

“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.