SCHEMBL5278486

SCHEMBL5278486

N#Cc1ccc(N2CCN(S(=O)(=O)c3c(Cl)ccc4nonc34)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
NPC1 O15118 1/20 0.46
TLR9 Q9NR96 1/20 0.46
GPR119 Q8TDV5 1/20 0.42
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PPARG P37231 2/20 0.41
PANK3 Q9H999 5/20 0.41
SMO Q99835 2/20 0.41
GAA P10253 2/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
GPR39 O43194 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
CCR6 P51684 1/20 0.37

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
SCHEMBL6390263 0.90 GPR119 (0.42) KMT2AGPR119MEN1ALDH1A1PANK3
SCHEMBL4786888 0.83 KMT2A (0.57) KMT2AMEN1ALDH1A1GAATSHR
SCHEMBL5246394 0.80 ALDH1A1 (0.41) KMT2AGPR119MEN1ALDH1A1SMO
SCHEMBL5281618 0.79 KMT2A (0.49) KMT2ANPC1TLR9GPR119MEN1
SCHEMBL5292223 0.78 ALDH1A1 (0.50) KMT2ANPC1TLR9MEN1ALDH1A1
SCHEMBL941941 0.72 GPR119 (0.61) GPR119ALDH1A1PANK3SMOGAA
SCHEMBL5246403 0.71 HSD11B1 (0.56) KMT2ANPC1TLR9MEN1ALDH1A1
SCHEMBL5244644 0.71 KMT2A (0.62) KMT2ANPC1TLR9MEN1ALDH1A1
SCHEMBL5285381 0.70 KMT2A (0.58) KMT2ANPC1TLR9MEN1ALDH1A1
SCHEMBL5296091 0.69 KMT2A (0.52) KMT2ANPC1TLR9MEN1ALDH1A1

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 KMT2A 1303/4885NPC1 1567/4885TLR9 2693/4885

“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.