SCHEMBL5285716

SCHEMBL5285716

O=S(=O)(Nc1ccc2cn[nH]c2c1)c1ccc(Cl)c2nonc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.61
MEN1 O00255 7/20 0.61
ALDH1A1 P00352 3/20 0.61
CASP6 P55212 3/20 0.61
TDP1 Q9NUW8 2/20 0.61
POLB P06746 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
MAPT P10636 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 2/20 0.53
RAB9A P51151 2/20 0.53
PKM P14618 1/20 0.53
RORA P35398 1/20 0.52
RORC P51449 1/20 0.52
NR1H2 P55055 1/20 0.52

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
SCHEMBL5295742 0.91 MEN1 (0.65) KMT2AMEN1ALDH1A1CASP6TDP1
SCHEMBL5301460 0.83 MEN1 (0.56) KMT2AMEN1ALDH1A1CASP6TDP1
SCHEMBL14018648 0.80 MEN1 (0.71) KMT2AMEN1ALDH1A1CASP6TDP1
SCHEMBL5285438 0.79 RORA (0.53) KMT2AMEN1MAPTRAB9ARORA
SCHEMBL5290603 0.77 RORA (0.51) KMT2AMEN1ALDH1A1TDP1POLB
SCHEMBL5299664 0.76 RORA (0.61) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL5282343 0.74 CASP6 (0.54) KMT2AMEN1ALDH1A1CASP6TDP1
SCHEMBL5291311 0.73 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1CASP6TDP1
SCHEMBL5279927 0.73 PFKFB3 (0.62) KMT2AMEN1ALDH1A1POLBSMN1; SMN2
SCHEMBL13757814 0.72 PNMT (0.52) RORARORCNR1H2PFKFB3

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.