SCHEMBL4512661

SCHEMBL4512661

[NH]C(=S)Nc1cccc2c1CCCC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
LMNA P02545 3/20 0.54
SIGMAR1 Q99720 2/20 0.54
GRIN2D O15399 1/20 0.54
GRIN3B O60391 1/20 0.54
GRIN1 Q05586 1/20 0.54
GRIN2A Q12879 1/20 0.54
GRIN2B Q13224 1/20 0.54
GRIN2C Q14957 1/20 0.54
GRIN3A Q8TCU5 1/20 0.54
THRA P10827 1/20 0.54
THRB P10828 1/20 0.54
L3MBTL1 Q9Y468 3/20 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
SCHEMBL4518125 0.97 SIGMAR1 (0.54) ALDH1A1MEN1KMT2ALMNASIGMAR1
SCHEMBL4512663 0.83 SIGMAR1 (0.61) ALDH1A1MEN1KMT2ALMNASIGMAR1
SCHEMBL6857068 0.82 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ALMNASIGMAR1
SCHEMBL4518129 0.79 SIGMAR1 (0.61) ALDH1A1MEN1KMT2ALMNASIGMAR1
SCHEMBL17894510 0.79 SIGMAR1 (0.61) ALDH1A1MEN1KMT2ALMNASIGMAR1
SCHEMBL8996663 0.79 SIGMAR1 (0.56) ALDH1A1MEN1KMT2ALMNASIGMAR1
SCHEMBL18917078 0.78 SIGMAR1 (0.60) ALDH1A1MEN1KMT2ALMNASIGMAR1
SCHEMBL11184545 0.78 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ALMNASIGMAR1
SCHEMBL6627140 0.77 ALDH1A1 (0.65) ALDH1A1MEN1KMT2ALMNASIGMAR1
SCHEMBL6627142 0.77 ALDH1A1 (0.65) ALDH1A1MEN1KMT2ALMNASIGMAR1

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 ALDH1A1 2810/4885MEN1 732/4885KMT2A 3194/4885

“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.