SCHEMBL6504076

SCHEMBL6504076

Cc1cccc(NC(=O)Nc2ccccc2[N+](=O)[O-])c1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
LMNA P02545 4/20 0.60
CXCR1 P25024 1/20 0.54
CXCR2 P25025 1/20 0.54
MAPT P10636 4/20 0.54
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MAPK1 P28482 2/20 0.54
NPC1 O15118 2/20 0.53
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
POLB P06746 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
DDX3X O00571 1/20 0.51
TP53 P04637 1/20 0.51
GAA P10253 3/20 0.49

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
SCHEMBL28433481 0.86 DDX3X (0.62) LMNACXCR1CXCR2MAPTALDH1A1
SCHEMBL11332310 0.82 KMT2A (0.73) L3MBTL1LMNACXCR1CXCR2MAPT
SCHEMBL6501234 0.82 MEN1 (0.59) LMNACXCR1CXCR2MAPTALDH1A1
SCHEMBL6500776 0.80 DDX3X (0.64) LMNACXCR2MAPTSMN1; SMN2NPC1
SCHEMBL33666 0.79 TDP1 (1.00) TDP1L3MBTL1LMNAALDH1A1SMN1; SMN2
SCHEMBL1585523 0.79 TDP1 (1.00) TDP1L3MBTL1LMNAALDH1A1SMN1; SMN2
SCHEMBL5180325 0.78 ALDH1A1 (0.55) TDP1L3MBTL1LMNAMAPTALDH1A1
SCHEMBL4388940 0.78 CXCR2 (0.78) TDP1L3MBTL1LMNACXCR1CXCR2
SCHEMBL1554424 0.78 TDP1 (0.63) TDP1L3MBTL1LMNACXCR1CXCR2
SCHEMBL175272 0.77 MEN1 (0.71) TDP1L3MBTL1LMNAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960599-B2 Heterocyclic aminoalkylpyridine derivatives as psychopharmaceuticals MERCK PATENT GMBH (DE) 2005-11-01 US claimed
US-20040019044-A1 Heterocyclic aminoalkyl pyridine derivatives as psychopharmaceuticals MERCK PATENT GMBH (DE) 2004-01-29 US claimed
US-6960599-B2 Heterocyclic aminoalkylpyridine derivatives as psychopharmaceuticals MERCK PATENT GMBH (DE) 2005-11-01 US disclosed
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
CN-1190963-A 2-amino-benzoxanones for the treatment of viral infections SEARLE & CO (US) 1998-08-19 CN disclosed
EP-0828721-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1998-03-18 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 (3 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 TDP1 2851/4885L3MBTL1 2672/4885LMNA 2849/4885
US-20050032793-A1 2-amino-benzoxazinones for the treatment of viral infections IFNAR1, IL4I1, ACE2 TDP1 2946/4885L3MBTL1 2622/4885LMNA 2211/4885
US-20040019044-A1 Heterocyclic aminoalkyl pyridine derivatives as psychopharmaceuticals HTR4, CNR1, CNR2 TDP1 3233/4885L3MBTL1 3893/4885LMNA 3880/4885

“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.