SCHEMBL5245347

SCHEMBL5245347

Cc1cccc(N2CCN(S(=O)(=O)c3c(Sc4cccc5cccnc45)ccc4nonc34)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 3/20 0.38
ALOX15 P16050 1/20 0.37
F13A1 P00488 1/20 0.37
TGM2 P21980 1/20 0.37
TGM1 P22735 1/20 0.37
TGM3 Q08188 1/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL5242949 0.87 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL5297217 0.86 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL5290611 0.83 ALDH1A1 (0.43) ALDH1A1KMT2AMAPTL3MBTL1GAA
SCHEMBL5246394 0.83 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1L3MBTL1GAA
SCHEMBL5242616 0.82 HSD11B1 (0.47) ALDH1A1KMT2AMEN1MAPTTDP1
SCHEMBL5242980 0.80 KMT2A (0.53) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL4787717 0.80 TSHR (0.42) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL5245395 0.75 KMT2A (0.45) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL5244145 0.72 L3MBTL1 (0.50) ALDH1A1KMT2AL3MBTL1GAAALOX15
SCHEMBL5242720 0.72 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1MAPTL3MBTL1

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
EP-1758873-A1 UBIQUITIN LIGASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2007-03-07 EP claimed
WO-2006002284-A1 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2006-01-05 WO claimed
US-20050282818-A1 Ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2005-12-22 US claimed
WO-2006002284-A1 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2006-01-05 WO disclosed
US-20050282818-A1 Ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2005-12-22 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-20050282818-A1 Ubiquitin ligase inhibitors NEDD4, TRAF6, XIAP ALDH1A1 2627/4885KMT2A 1303/4885MEN1 3562/4885

“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.