SCHEMBL4582200

SCHEMBL4582200

CSc1ccc(NC(=O)N(S)C2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
MAPT P10636 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PDGFRB P09619 1/20 0.50
CLK1 P49759 1/20 0.49
IDE P14735 1/20 0.48

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
SCHEMBL4585528 0.93 PDGFRB (0.50) KDM4EMAPTNPSR1ALDH1A1MEN1
SCHEMBL4582816 0.91 MEN1 (0.48) KDM4EMAPTNPSR1ALDH1A1MEN1
SCHEMBL4581522 0.88 PDGFRB (0.58) KDM4EMAPTNPSR1ALDH1A1MEN1
SCHEMBL4583300 0.88 GAA (0.57) KDM4EMAPTNPSR1ALDH1A1MEN1
SCHEMBL4584639 0.86 PDGFRB (0.49) MAPTPDGFRB
SCHEMBL4583167 0.86 KDM4E (0.51) KDM4EMAPTNPSR1ALDH1A1MEN1
SCHEMBL4582815 0.85 MAPK1 (0.51) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL4584606 0.84 PDGFRB (0.46) MAPTALDH1A1MEN1KMT2APDGFRB
SCHEMBL4582613 0.83 MAPT (0.46) MAPTALDH1A1KMT2APDGFRB
SCHEMBL4582320 0.82 KDM4E (0.53) KDM4EMAPTALDH1A1MEN1KMT2A

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 7 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
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 KDM4E 4022/4885MAPT 4796/4885NPSR1 505/4885

“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.