SCHEMBL4583240

SCHEMBL4583240

O=C(NC1CCN(c2nccc3ccccc23)CC1)N(S)c1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 2/20 0.49
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PAK1 Q13153 4/20 0.42
HRH4 Q9H3N8 1/20 0.42
HTR2C P28335 1/20 0.42
DRD4 P21917 2/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
SORD Q00796 2/20 0.39
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
DPP4 P27487 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL4582250 0.88 HRH4 (0.42) MALT1PAK1HRH4HTR2CDRD4
SCHEMBL4583562 0.84 MALT1 (0.45) MALT1MEN1KMT2APAK1HRH4
SCHEMBL4581745 0.82 MEN1 (0.43) MEN1KMT2APAK1HTR2CDRD4
SCHEMBL4581570 0.80 DRD4 (0.42) MALT1KMT2APAK1HRH4HTR2C
SCHEMBL4583403 0.79 CYP1A2 (0.52) MALT1PAK1CNR1CNR2
SCHEMBL4583340 0.79 MALT1 (0.45) MALT1PAK1HRH4HTR2CDRD4
SCHEMBL4582797 0.79 MAPK14 (0.42) MALT1MEN1KMT2APAK1DRD4
SCHEMBL4583140 0.78 ALDH1A1 (0.56) MEN1KMT2A
SCHEMBL4582955 0.78 PDGFRB (0.49) MEN1KMT2ADRD2DRD3
SCHEMBL4019291 0.78 PAK1 (0.63) MALT1MEN1KMT2APAK1HTR2C

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
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
WO-2008028690-A1 1-(HET)ARYL-3-[HETARYL-PIPERIDIN-4-YL]-THIOUREAS AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO 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 MALT1 628/4885MEN1 4553/4885KMT2A 2513/4885

“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.