SCHEMBL6156037

SCHEMBL6156037

CN(C)c1ccc(-c2nnc(Nc3ccc(Cl)c(Cl)c3)s2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.69
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 4/20 0.57
GAA P10253 3/20 0.57
MAPT P10636 3/20 0.57
NPC1 O15118 2/20 0.57
TP53 P04637 2/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
GLA P06280 1/20 0.57
HPGD P15428 1/20 0.57
BLM P54132 6/20 0.55
MEN1 O00255 2/20 0.53
POLB P06746 2/20 0.53
KMT2A Q03164 2/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
HPN P05981 1/20 0.49
HDAC1 Q13547 1/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48

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
SCHEMBL6155747 0.82 GUSB (0.70) GUSBKDM4EALDH1A1GAAMAPT
SCHEMBL6154782 0.82 GUSB (0.69) GUSBKDM4EALDH1A1GAAMAPT
SCHEMBL6153841 0.77 GUSB (0.72) GUSBKDM4EALDH1A1GAAMAPT
SCHEMBL6155706 0.76 GUSB (0.72) GUSBKDM4EALDH1A1GAAMAPT
SCHEMBL6153932 0.76 GUSB (0.72) GUSBKDM4EALDH1A1GAAMAPT
SCHEMBL6155440 0.76 GUSB (0.52) GUSBKDM4EALDH1A1GAAMAPT
SCHEMBL6154609 0.74 GUSB (0.59) GUSBKDM4EALDH1A1GAAMAPT
SCHEMBL6155161 0.74 GUSB (0.60) GUSBKDM4EALDH1A1GAABLM
SCHEMBL7148349 0.74 ROCK2 (0.61) GUSBKDM4EALDH1A1GAAMAPT
SCHEMBL6154713 0.73 GUSB (0.58) GUSBKDM4EALDH1A1GAAMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US claimed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 WO 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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP GUSB 2466/4885KDM4E 1133/4885ALDH1A1 961/4885

“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.