SCHEMBL4976151

SCHEMBL4976151

O=C(O)c1cc(Br)nn1-c1nc(Cl)ccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTT P42858 1/20 0.35
CCR9 P51686 1/20 0.33
L3MBTL1 Q9Y468 4/20 0.33
ALDH1A1 P00352 3/20 0.33
GAA P10253 1/20 0.33
POLB P06746 3/20 0.32
TDP1 Q9NUW8 3/20 0.32
RECQL P46063 2/20 0.32
MCL1 Q07820 2/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
KDM4E B2RXH2 2/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL535475 0.79 DHODH (0.41) PKM
SCHEMBL29361008 0.79 DHODH (0.41) PKM
Hydrochloric Acid SCHEMBL23754596 0.78 DHODH (0.41) PKM
SCHEMBL23249646 0.78 DHODH (0.41) PKM
SCHEMBL4976142 0.76 KDM4E (0.34) MEN1KMT2ACYP2C9L3MBTL1ALDH1A1
SCHEMBL29920957 0.74 L3MBTL1 (0.35) MEN1KMT2ACCR9L3MBTL1POLB
SCHEMBL5321603 0.74 ALDH1A1 (0.36) ALDH1A1GAAPOLBKDM4EMAPT
SCHEMBL1198603 0.74 L3MBTL1 (0.35) MEN1KMT2ACCR9L3MBTL1POLB
SCHEMBL4172241 0.74 ALDH1A1 (0.52) MEN1KMT2AL3MBTL1ALDH1A1GAA
Toluene SCHEMBL28941923 0.73 DHODH (0.44) MEN1KMT2AALDH1A1GAARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7339057-B2 Method for preparing fused oxazinones from ortho-amino aromatic carboxylic acid and carboxylic acid in the presence of a sulfonyl chloride and pyridine E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-03-04 US disclosed
EP-1549643-B1 METHOD FOR PREPARING FUSED OXAZINONES FROM ORTHO-AMINO AROMATIC CARBOXYLIC ACID AND A CARBOXYLIC ACID IN THE PRESENCE OF A SULFONYL CHLORIDE AND PYRIDINE DU PONT (US) 2007-08-29 EP disclosed
US-20050215785-A1 Method for preparing fused oxazinones from ortho-amino aromatic carboxylic acid and carboxylic acid in the presence of a sulfonyl chloride and pyridine FMC CORPORATION 2005-09-29 US disclosed
EP-1549643-A2 METHOD FOR PREPARING FUSED OXAZINONES FROM ORTHO-AMINO AROMATIC CARBOXYLIC ACID AND A CARBOXYLIC ACID IN THE PRESENCE OF A SULFONYL CHLORIDE AND PYRIDINE E.I. du Pont de Nemours and Company (US) 2005-07-06 EP disclosed
WO-2004011447-A2 METHOD FOR PREPARING FUSED OXAZINONES FROM ORTHO-AMINO AROMATIC CARBOXYLIC ACID AND A CARBOXYLIC ACID IN THE PRESENCE OF A SULFONYL CHLORIDE AND PYRIDINE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-02-05 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-20050215785-A1 Method for preparing fused oxazinones from ortho-amino aromatic carboxylic acid and carboxylic acid in the presence of a sulfonyl chloride and pyridine OXGR1, OXSR1, OXER1 MEN1 2969/4885KMT2A 3935/4885CYP2C9 28/4885

“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.