SCHEMBL4582933

SCHEMBL4582933

O=C(Nc1cccc(Cl)c1Cl)N(S)C1CCN(c2ccnc3ccc(Cl)cc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.47
ALDH1A1 P00352 1/20 0.44
IDE P14735 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 3/20 0.42
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CLK1 P49759 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP8B1 Q9UNU6 3/20 0.39
CCR5 P51681 1/20 0.39

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
SCHEMBL4583027 0.93 ALDH1A1 (0.53) PDGFRBALDH1A1IDEKDM4EMAPK1
SCHEMBL4583312 0.86 PDGFRB (0.47) PDGFRBALDH1A1IDEKDM4EMAPK1
SCHEMBL4583524 0.85 PDGFRB (0.58) PDGFRBALDH1A1IDEKDM4EMAPT
SCHEMBL4583284 0.85 POLB (0.39) KDM4EMAPTMEN1KMT2A
SCHEMBL4582530 0.83 KDM4E (0.47) PDGFRBALDH1A1KDM4EMAPK1MAPT
SCHEMBL4582928 0.82 PKM (0.52) PDGFRBALDH1A1MAPK1MAPTMEN1
SCHEMBL4584606 0.81 PDGFRB (0.46) PDGFRBALDH1A1MAPTMEN1KMT2A
SCHEMBL4583592 0.81 JAK2 (0.49) PDGFRBMAPTMEN1KMT2ACCR5
SCHEMBL4583861 0.81 PDGFRB (0.52) PDGFRBKDM4EMAPK1MAPTMEN1
SCHEMBL4582331 0.81 CYP1A2 (0.50) PDGFRB

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
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 PDGFRB 129/4885ALDH1A1 866/4885IDE 3597/4885

“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.