SCHEMBL4512663

SCHEMBL4512663

NC(=S)Nc1cccc2c1CCCC2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.61
GRIN2D O15399 1/20 0.61
GRIN3B O60391 1/20 0.61
GRIN1 Q05586 1/20 0.61
GRIN2A Q12879 1/20 0.61
GRIN2B Q13224 1/20 0.61
GRIN2C Q14957 1/20 0.61
GRIN3A Q8TCU5 1/20 0.61
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
LMNA P02545 1/20 0.54
THRA P10827 1/20 0.54
THRB P10828 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
KDM4E B2RXH2 2/20 0.52
TSHR P16473 2/20 0.51
POLB P06746 1/20 0.49
BCL2L1 Q07817 1/20 0.47
BAD Q92934 1/20 0.47

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
SCHEMBL4518129 0.97 SIGMAR1 (0.61) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11492861 0.89 SIGMAR1 (0.49) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17894510 0.83 SIGMAR1 (0.61) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2357753 0.83 ALDH1A1 (0.63) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4512661 0.83 ALDH1A1 (0.55) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18917078 0.81 SIGMAR1 (0.60) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9293166 0.79 SIGMAR1 (0.61) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4518125 0.79 SIGMAR1 (0.54) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6857068 0.79 ALDH1A1 (0.58) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11184545 0.78 ALDH1A1 (0.52) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

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-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 US disclosed
EP-1934181-A2 KINASE INHIBITORS Devgen NV (BE) 2008-06-25 EP disclosed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 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-20090233960-A1 Kinase Inhibitors ROCK1, MAP3K1, MAP3K11 SIGMAR1 1738/4885GRIN2D 1593/4885GRIN3B 1064/4885

“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.