SCHEMBL4585528

SCHEMBL4585528

CSc1ccc(NC(=O)N(S)C2CCN(c3ccnc4ccc(Cl)cc34)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.50
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTR1A P08908 2/20 0.43
HTR1D P28221 2/20 0.43
HTR1B P28222 2/20 0.43
HTR6 P50406 2/20 0.43
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
HTR2A P28223 1/20 0.43
HTR7 P34969 1/20 0.43
JAK1 P23458 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL4582200 0.93 KDM4E (0.51) PDGFRBMAPTKDM4ENPSR1MEN1
SCHEMBL4584606 0.91 PDGFRB (0.46) PDGFRBMAPTHTR1AHTR1DHTR1B
SCHEMBL4583524 0.88 PDGFRB (0.58) PDGFRBMAPTKDM4ENPSR1HTR1A
SCHEMBL4583204 0.88 PDGFRB (0.56) PDGFRBMAPTKDM4ENPSR1IDO1
SCHEMBL4582274 0.86 PDGFRB (0.50) PDGFRBMAPTKDM4ENPSR1HTR1A
SCHEMBL4583312 0.85 PDGFRB (0.47) PDGFRBMAPTKDM4EMEN1KMT2A
SCHEMBL4582816 0.84 MEN1 (0.48) PDGFRBMAPTKDM4ENPSR1MEN1
SCHEMBL4582613 0.83 MAPT (0.46) PDGFRBMAPTJAK1KMT2ARXFP1
SCHEMBL4583592 0.82 JAK2 (0.49) PDGFRBMAPTHTR1AHTR1DHTR1B
SCHEMBL4583861 0.82 PDGFRB (0.52) PDGFRBMAPTKDM4EHTR1AHTR1D

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 6 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
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 129/4885MAPT 4796/4885KDM4E 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.