SCHEMBL5288013

SCHEMBL5288013

O=S(=O)(c1cccc2nonc12)N1CCN(c2ncccn2)CC1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.67
MEN1 O00255 3/20 0.67
ALDH1A1 P00352 8/20 0.66
POLB P06746 2/20 0.66
LMNA P02545 1/20 0.66
PKM P14618 1/20 0.66
MAPK1 P28482 1/20 0.66
MAPT P10636 3/20 0.65
TDP1 Q9NUW8 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
MET P08581 1/20 0.54
CHRM1 P11229 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 2/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
THRB P10828 1/20 0.52
KDM4E B2RXH2 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
SCHEMBL5283824 0.87 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL4786397 0.84 KMT2A (0.77) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL2962551 0.84 KMT2A (0.80) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL5245000 0.82 SMN1; SMN2 (0.52) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL5279842 0.82 KMT2A (0.61) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL5439162 0.82 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL4788475 0.81 KMT2A (0.57) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL5246652 0.79 KMT2A (0.63) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL5245721 0.78 KMT2A (0.59) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL4787842 0.78 ALDH1A1 (0.72) KMT2AMEN1ALDH1A1POLBLMNA

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-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-2008115259-A2 DERIVATIVES OF BENZOXADIAZOLE SUITABLE FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES RIGEL PHARMACEUTICALS, INC. (US) 2008-09-25 WO disclosed
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 KMT2A 1303/4885MEN1 3562/4885ALDH1A1 2627/4885

“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.