SCHEMBL4584330

SCHEMBL4584330

CSc1cccc(NC(=O)N(S)C2CCN(c3nncc4ccc(Br)cc34)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.41
HCRTR2 O43614 3/20 0.41
UBE2M P61081 2/20 0.39
DCUN1D1 Q96GG9 2/20 0.39
LMNA P02545 5/20 0.39
MAPT P10636 3/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL4582435 0.93 HCRTR1 (0.41) HCRTR1HCRTR2UBE2MDCUN1D1LMNA
SCHEMBL4584227 0.92 PDGFRB (0.38) HCRTR1HCRTR2LMNAMAPTKMT2A
SCHEMBL4582539 0.89 PDGFRB (0.44) UBE2MDCUN1D1LMNAMAPTKMT2A
SCHEMBL4584115 0.88 MAPT (0.43) UBE2MDCUN1D1MAPTPOLBKMT2A
SCHEMBL4583326 0.86 JAK2 (0.46) DCUN1D1MAPTKMT2ASMN1; SMN2TSHR
SCHEMBL4582359 0.86 LMNA (0.39) LMNAMAPTPOLBKMT2AMEN1
SCHEMBL4582690 0.85 PDGFRB (0.38) HCRTR1HCRTR2LMNAMAPTKMT2A
SCHEMBL4583676 0.83 PDGFRB (0.43) LMNAPOLBKMT2AMEN1NPSR1
SCHEMBL4582504 0.82 PDGFRB (0.44) UBE2MDCUN1D1LMNAMAPTKMT2A
SCHEMBL4582341 0.82 JAK2 (0.43) LMNAKMT2A

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
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

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 HCRTR1 815/4885HCRTR2 399/4885UBE2M 3488/4885

“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.