SCHEMBL4976142

SCHEMBL4976142

O=C(O)c1cc(Br)nn1-c1nccc(Cl)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
POLB P06746 2/20 0.34
RECQL P46063 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
MCL1 Q07820 1/20 0.34
KMO O15229 3/20 0.33
PKM P14618 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
CYP2C9 P11712 1/20 0.33
KDM5A P29375 2/20 0.32
KDM4C Q9H3R0 2/20 0.32
GAA P10253 1/20 0.32
JMJD6 Q6NYC1 1/20 0.31

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
SCHEMBL29361008 0.83 DHODH (0.41) SMN1; SMN2PKMDHODH
SCHEMBL535475 0.83 DHODH (0.41) SMN1; SMN2PKMDHODH
SCHEMBL23249646 0.82 DHODH (0.41) SMN1; SMN2PKMDHODH
Hydrochloric Acid SCHEMBL23754596 0.82 DHODH (0.41) SMN1; SMN2PKMDHODH
SCHEMBL29215123 0.77 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL27824027 0.77 DHODH (0.35) KDM4ESMN1; SMN2MEN1KMT2ATDP1
Toluene SCHEMBL28941923 0.77 DHODH (0.44) KDM4EALDH1A1MEN1KMT2ARECQL
SCHEMBL4976151 0.76 MEN1 (0.37) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL1198603 0.76 L3MBTL1 (0.35) KDM4EMEN1KMT2APOLBRECQL
SCHEMBL29920957 0.76 L3MBTL1 (0.35) KDM4EMEN1KMT2APOLBRECQL

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 KDM4E 1201/4885ALDH1A1 823/4885SMN1; SMN2 1499/4885

“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.