SCHEMBL5246394

SCHEMBL5246394

N#Cc1ccc(N2CCN(S(=O)(=O)c3c(Sc4cccc5cccnc45)ccc4nonc34)CC2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
FABP1 P07148 1/20 0.41
PARP1 P09874 2/20 0.39
GAA P10253 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
SMO Q99835 1/20 0.37
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
TSHR P16473 1/20 0.35
HSD11B1 P28845 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MET P08581 1/20 0.34
CHRM1 P11229 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL5242616 0.85 HSD11B1 (0.47) ALDH1A1FABP1GAAKDM4EHSD11B1
SCHEMBL5297217 0.85 ALDH1A1 (0.44) ALDH1A1GAAL3MBTL1KDM4ECYP1A2
SCHEMBL5245347 0.83 ALDH1A1 (0.44) ALDH1A1GAAL3MBTL1KDM4ECYP1A2
SCHEMBL6390263 0.80 GPR119 (0.42) ALDH1A1PARP1GAAL3MBTL1SMO
SCHEMBL5278486 0.80 KMT2A (0.46) ALDH1A1GAAL3MBTL1SMOGPR119
SCHEMBL5290611 0.79 ALDH1A1 (0.43) ALDH1A1GAAL3MBTL1KDM4ECYP2C19
SCHEMBL4786888 0.77 KMT2A (0.57) ALDH1A1GAAL3MBTL1KDM4ECYP2C19
SCHEMBL4787717 0.75 TSHR (0.42) ALDH1A1GAAL3MBTL1KDM4EHSD17B10
SCHEMBL5244384 0.72 HSD11B1 (0.49) ALDH1A1FABP1GAAL3MBTL1KDM4E
SCHEMBL5242949 0.70 ALDH1A1 (0.53) ALDH1A1FABP1GAAL3MBTL1KDM4E

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 2627/4885FABP1 2893/4885PARP1 1009/4885

“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.