SCHEMBL4583601

SCHEMBL4583601

COc1cccc(NC(=S)NC2CCN(c3nccc4ccccc34)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
RAB9A P51151 1/20 0.52
MALT1 Q9UDY8 1/20 0.51
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CCNC P24863 1/20 0.49
CDK8 P49336 1/20 0.49
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
LMNA P02545 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 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
SCHEMBL4583157 0.90 MALT1 (0.51) MALT1ALDH1A1MAPTMAPK1LMNA
SCHEMBL4780897 0.88 MALT1 (0.47) KMT2ARAB9AMALT1ALDH1A1MAPT
SCHEMBL4582961 0.86 MALT1 (0.51) KMT2ARAB9AMALT1DRD2DRD4
SCHEMBL4582822 0.86 ALDH1A1 (0.51) KMT2AALDH1A1MAPK1
SCHEMBL4583560 0.86 MEN1 (0.55) KMT2AMALT1LMNAMEN1
SCHEMBL4581567 0.86 MALT1 (0.45) KMT2AMALT1ALDH1A1KDM4EMEN1
SCHEMBL4584337 0.85 MALT1 (0.45) KMT2AMALT1MEN1
SCHEMBL4583980 0.83 CCNC (0.48) MALT1ALDH1A1MAPTCCNCCDK8
SCHEMBL4582726 0.82 POLB (0.53) RAB9AMALT1ALDH1A1
SCHEMBL4583335 0.81 MEN1 (0.55) KMT2ARAB9AMALT1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080125435-A1 1-(Het)aryl-3-[hetaryl-piperidin-4-yl]-thioureas as modulators of the EP2 receptor BAYER SCHERING PHARMA AG (DE) 2008-05-29 US claimed
EP-1903037-A1 1-(hetero)aryl-3-[heteroaryl-piperidin-4yl]-thiourea derivatives as modulators of EP2 receptors Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-26 EP claimed
US-20080125435-A1 1-(Het)aryl-3-[hetaryl-piperidin-4-yl]-thioureas as modulators of the EP2 receptor BAYER SCHERING PHARMA AG (DE) 2008-05-29 US disclosed
EP-1903037-A1 1-(hetero)aryl-3-[heteroaryl-piperidin-4yl]-thiourea derivatives as modulators of EP2 receptors Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-26 EP 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-20080125435-A1 1-(Het)aryl-3-[hetaryl-piperidin-4-yl]-thioureas as modulators of the EP2 receptor PTGER2, PTGER1, PTGES2 KMT2A 2513/4885RAB9A 3349/4885MALT1 628/4885

“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.