SCHEMBL4628482

SCHEMBL4628482

COc1cc(C(=O)NC(N)=NCCc2c[nH]c3ccccc23)cc(OC)c1OC

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.66
MEN1 O00255 4/20 0.66
MAPT P10636 4/20 0.66
NPSR1 Q6W5P4 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
SCN5A Q14524 3/20 0.61
SCN2A Q99250 3/20 0.61
PTGS2 P35354 1/20 0.53
ADORA2A P29274 2/20 0.52
RAB9A P51151 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
HPGD P15428 2/20 0.49
LMNA P02545 1/20 0.48

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
SCHEMBL4628984 0.82 MEN1 (0.80) KMT2AMEN1MAPTNPSR1L3MBTL1
SCHEMBL4629419 0.80 SCN5A (0.85) KMT2AL3MBTL1SCN5ASCN2ASMN1; SMN2
SCHEMBL4629003 0.80 MEN1 (1.00) KMT2AMEN1MAPTNPSR1L3MBTL1
SCHEMBL4628422 0.78 MAPT (0.71) KMT2AMEN1MAPTNPSR1L3MBTL1
SCHEMBL4628754 0.76 MEN1 (0.67) KMT2AMEN1MAPTNPSR1L3MBTL1
SCHEMBL4628492 0.76 SCN5A (1.00) L3MBTL1SCN5ASCN2ASMN1; SMN2LMNA
SCHEMBL4628823 0.75 MAPT (0.66) KMT2AMEN1MAPTNPSR1L3MBTL1
SCHEMBL4628726 0.75 SCN5A (0.66) KMT2AMEN1MAPTNPSR1SCN5A
SCHEMBL11843383 0.74 MEN1 (0.52) KMT2AMEN1PTGS2ABCG2SMN1; SMN2
SCHEMBL4164367 0.71 KMT2A (0.67) KMT2AMEN1MAPTPTGS2SMN1; SMN2

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
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP claimed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US claimed
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP disclosed
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP disclosed
US-20060270741-A1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-11-30 US disclosed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 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 (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-20060270741-A1 Pharmaceutically active compounds and methods of use GBA1, CTSA, GAA KMT2A 3245/4885MEN1 1819/4885MAPT 705/4885

“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.