SCHEMBL4583300

SCHEMBL4583300

COc1ccc(NC(=O)N(S)C2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
PDGFRB P09619 1/20 0.56
KDM4E B2RXH2 3/20 0.53
MAPT P10636 3/20 0.53
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPK1 P28482 1/20 0.50
CLK1 P49759 1/20 0.49

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
SCHEMBL4583204 0.93 PDGFRB (0.56) GAAPDGFRBKDM4EMAPTNPSR1
SCHEMBL4582320 0.91 KDM4E (0.53) GAAPDGFRBKDM4EMAPTALDH1A1
SCHEMBL4581522 0.88 PDGFRB (0.58) PDGFRBKDM4EMAPTNPSR1ALDH1A1
SCHEMBL4582200 0.88 KDM4E (0.51) PDGFRBKDM4EMAPTNPSR1ALDH1A1
SCHEMBL4583167 0.86 KDM4E (0.51) PDGFRBKDM4EMAPTNPSR1ALDH1A1
SCHEMBL4581558 0.86 PDGFRB (0.53) PDGFRB
SCHEMBL4583861 0.84 PDGFRB (0.52) GAAPDGFRBKDM4EMAPTMEN1
SCHEMBL4581982 0.83 ALDH1A1 (0.42) GAAPDGFRBALDH1A1MAPK1
SCHEMBL4582816 0.82 MEN1 (0.48) PDGFRBKDM4EMAPTNPSR1ALDH1A1
SCHEMBL4583524 0.81 PDGFRB (0.58) PDGFRBKDM4EMAPTNPSR1ALDH1A1

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 GAA 3926/4885PDGFRB 129/4885KDM4E 4022/4885

“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.