SCHEMBL1065660

SCHEMBL1065660

O=c1[nH]c(=S)[nH]nc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ALDH1A1 P00352 7/20 0.53
HPGD P15428 5/20 0.53
CYP2C9 P11712 1/20 0.53
MAPT P10636 1/20 0.52
GFER P55789 1/20 0.52
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
KDM4E B2RXH2 4/20 0.47
HSD17B10 Q99714 2/20 0.47
TP53 P04637 1/20 0.47
XDH P47989 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 2/20 0.46
ALPL P05186 1/20 0.46
IDO1 P14902 1/20 0.46
TTK P33981 1/20 0.46
MAPK10 P53779 1/20 0.46

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
SCHEMBL2899875 0.84 ATM (0.60) ATMNPSR1ALDH1A1HPGDMAPT
SCHEMBL4354117 0.81 MEN1 (0.54) ALDH1A1HPGDCYP2C9MAPTRAB9A
SCHEMBL4352792 0.78 MEN1 (0.58) ALDH1A1MEN1KMT2AALPL
SCHEMBL2430238 0.75 NPC1 (0.53) NPSR1ALDH1A1HPGDCYP2C9MAPT
SCHEMBL581143 0.72 NPSR1 (1.00) ATMNPSR1ALDH1A1HPGDMAPT
SCHEMBL29870198 0.72 NPSR1 (1.00) ATMNPSR1ALDH1A1HPGDMAPT
SCHEMBL14611730 0.72 HSD17B10 (0.51) NPSR1ALDH1A1HPGDCYP2C9MAPT
SCHEMBL11169740 0.71 MEN1 (0.65) ATMNPSR1ALDH1A1HPGDMAPT
SCHEMBL11480060 0.71 NPSR1 (0.63) ATMNPSR1ALDH1A1HPGDMAPT
SCHEMBL20798351 0.70 XDH (0.55) ALDH1A1HPGDMAPTGFERNPC1

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-2222326-B2 INHIBITORS OF MALT1 PROTEOLYTIC ACTIVITY AND USES THEREOF VIB VZW (BE) 2015-02-25 EP disclosed
EP-2222326-B1 Inhibitors of MALT1-proteolytic activity and uses thereof VIB VZW (BE) 2012-04-18 EP disclosed
US-20110021548-A1 INHIBITORS OF MALT1 PROTEOLYTIC ACTIVITY AND USES THEREOF UNIVERSITEIT GENT (BE) 2011-01-27 US disclosed
US-20110021548-A1 INHIBITORS OF MALT1 PROTEOLYTIC ACTIVITY AND USES THEREOF UNIVERSITEIT GENT (BE) 2011-01-27 US disclosed
US-20110021548-A1 INHIBITORS OF MALT1 PROTEOLYTIC ACTIVITY AND USES THEREOF UNIVERSITEIT GENT (BE) 2011-01-27 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-20110021548-A1 INHIBITORS OF MALT1 PROTEOLYTIC ACTIVITY AND USES THEREOF MMEL1, CTRL, ZFR ATM 3701/4885NPSR1 2236/4885ALDH1A1 4353/4885

“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.