SCHEMBL4583027

SCHEMBL4583027

O=C(Nc1cccc(Cl)c1Cl)N(S)C1CCN(c2ccnc3cc(Cl)ccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
IDE P14735 1/20 0.51
MAPK1 P28482 4/20 0.50
KDM4E B2RXH2 3/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CLK1 P49759 1/20 0.48
CCR5 P51681 1/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PDGFRB P09619 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
STAT3 P40763 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CHKA P35790 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
SCHEMBL4582933 0.93 PDGFRB (0.47) ALDH1A1IDEMAPK1KDM4EMAPT
SCHEMBL4582815 0.86 MAPK1 (0.51) ALDH1A1IDEMAPK1KDM4EMAPT
SCHEMBL4582331 0.86 CYP1A2 (0.50) PDGFRBSTAT3
SCHEMBL4583284 0.85 POLB (0.39) KDM4EMAPTMEN1KMT2APKM
SCHEMBL4581522 0.85 PDGFRB (0.58) ALDH1A1IDEMAPK1KDM4EMAPT
SCHEMBL4584198 0.83 KDM4E (0.55) ALDH1A1IDEMAPK1KDM4EMAPT
SCHEMBL4583022 0.82 PKM (0.52) ALDH1A1IDEMAPK1KDM4EMAPT
SCHEMBL4582320 0.81 KDM4E (0.53) ALDH1A1MAPK1KDM4EMAPTMEN1
SCHEMBL4582816 0.81 MEN1 (0.48) ALDH1A1IDEMAPK1KDM4EMAPT
SCHEMBL4583195 0.81 JAK2 (0.49) ALDH1A1IDEMAPK1KDM4EMAPT

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
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
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 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 ALDH1A1 866/4885IDE 3597/4885MAPK1 2377/4885

“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.