SCHEMBL4582483

SCHEMBL4582483

N#Cc1cccc(NC(=S)NC2CCN(c3ccnc4c(Cl)cccc34)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
THRB P10828 1/20 0.44
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
IDO1 P14902 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
MALT1 Q9UDY8 1/20 0.40

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
SCHEMBL4582635 0.91 ALDH1A1 (0.40) MAPTALDH1A1
SCHEMBL4582417 0.88 MEN1 (0.55) MEN1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4582720 0.87 ALDH1A1 (0.50) MAPTALDH1A1KMT2A
SCHEMBL4583461 0.86 MEN1 (0.43) TP53MAPTALDH1A1MEN1CYP1A2
SCHEMBL4583189 0.85 ADRB2 (0.47) ALDH1A1
SCHEMBL4583588 0.85 MEN1 (0.44) TP53CCNCCDK8IDO1MEN1
SCHEMBL4583687 0.84 KDM4E (0.47) TP53CCNCCDK8MAPTALDH1A1
SCHEMBL4582372 0.84 MEN1 (0.41) MAPTALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL4778929 0.82
SCHEMBL4583245 0.82 POLB (0.51) ALDH1A1CYP1A2CYP3A4CYP2C19

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 TP53 4697/4885CCNC 3829/4885CDK8 1795/4885

“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.