SCHEMBL5280035

SCHEMBL5280035

O=C(CN1CCN(S(=O)(=O)c2cccc3nonc23)CC1)N1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.64
KMT2A Q03164 4/20 0.61
MAPT P10636 3/20 0.57
MEN1 O00255 3/20 0.55
NPC1 O15118 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
POLB P06746 3/20 0.52
LMNA P02545 1/20 0.52
PKM P14618 1/20 0.52
MAPK1 P28482 1/20 0.52
GAA P10253 1/20 0.51
THRB P10828 1/20 0.50

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
SCHEMBL5246652 0.86 KMT2A (0.63) ALDH1A1KMT2AMAPTMEN1TDP1
SCHEMBL5246129 0.78 ALDH1A1 (0.75) ALDH1A1KMT2AMAPTMEN1TDP1
SCHEMBL2962551 0.74 KMT2A (0.80) ALDH1A1KMT2AMAPTMEN1TDP1
SCHEMBL4786397 0.72 KMT2A (0.77) ALDH1A1KMT2AMAPTMEN1TDP1
SCHEMBL7027267 0.72 KMT2A (0.68) ALDH1A1KMT2AMAPTMEN1TDP1
SCHEMBL5288013 0.71 KMT2A (0.67) ALDH1A1KMT2AMAPTMEN1TDP1
SCHEMBL5311826 0.71 NPC1 (0.78) ALDH1A1NPC1L3MBTL1SMN1; SMN2HTT
SCHEMBL21911363 0.69 ALDH1A1 (0.56) ALDH1A1KMT2AMAPTMEN1TDP1
SCHEMBL5439162 0.68 ALDH1A1 (0.58) ALDH1A1KMT2AMAPTMEN1TDP1
SCHEMBL5283824 0.68 ALDH1A1 (0.67) ALDH1A1KMT2AMAPTMEN1TDP1

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
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 ALDH1A1 2627/4885KMT2A 1303/4885MAPT 1681/4885

“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.