SCHEMBL6436849

SCHEMBL6436849

O=C(O)c1cc(-c2ccc(C=NNc3nc4nonc4nc3Nc3ccccc3)o2)ccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.61
ALDH1A1 P00352 9/20 0.61
KMT2A Q03164 8/20 0.61
MAPT P10636 7/20 0.61
MEN1 O00255 7/20 0.61
GAA P10253 6/20 0.61
HPGD P15428 1/20 0.61
ALOX12 P18054 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
POLB P06746 7/20 0.59
TDP1 Q9NUW8 6/20 0.59
L3MBTL1 Q9Y468 4/20 0.59
PKM P14618 3/20 0.59
RECQL P46063 2/20 0.59
CTDSP1 Q9GZU7 2/20 0.59
BIRC5 O15392 1/20 0.57
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
BLM P54132 1/20 0.52
USP2 O75604 1/20 0.51

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
SCHEMBL6436845 1.00 KDM4E (0.61) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL6415129 0.93 KDM4E (0.60) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL6415138 0.93 KDM4E (0.60) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL6433034 0.93 MEN1 (0.66) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL6416003 0.93 MEN1 (0.61) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL6433043 0.93 MEN1 (0.66) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL6422200 0.92 KDM4E (0.62) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL6422197 0.92 KDM4E (0.62) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL6416287 0.89 BIRC5 (0.59) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL6416280 0.89 BIRC5 (0.59) KDM4EALDH1A1KMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113346-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors WYETH HOLDINGS CORPORATION 2005-05-26 US disclosed
EP-1529531-A1 Oxadiazolopyrazine derivatives as pharmaceutically active compounds 4SC AG (DE) 2005-05-11 EP disclosed
US-6812227-B2 SULFUR COMPOUNDS SUCH AS 2-((4-BUT-2-YNYLOXY-BENZENESULFONYL)-METHYL-AMINO)-N-HYDROXY-3-METHYL -BUTYRAMIDE, USED AS TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME (TACE) INHIBITORS, FOR PROPHYLAXIS OF RHEUMATIC DISEASES, SEPSIS OR INFLAMMATION WYETH HOLDINGS CORPORATION 2004-11-02 US disclosed
EP-1144368-B1 ACETYLENIC ALPHA-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS WYETH CORP (US) 2004-07-14 EP disclosed
US-20030212049-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors WYETH (US) 2003-11-13 US disclosed
US-20030008849-A1 Acetylenic alpha -amino acid-based sulfonamide hydroxamic acid tace inhibitors LEVIN JEREMY I (US) 2003-01-09 US 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-20030008849-A1 Acetylenic alpha -amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 KDM4E 3928/4885ALDH1A1 716/4885KMT2A 2103/4885
US-20030212049-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 KDM4E 3928/4885ALDH1A1 716/4885KMT2A 2103/4885
US-20050113346-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, MMP12 KDM4E 3868/4885ALDH1A1 1103/4885KMT2A 1673/4885

“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.