SCHEMBL4583465

SCHEMBL4583465

O=C(NC1CCN(c2ccnc3c(Cl)cccc23)CC1)N(S)c1cccc(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
NPY5R Q15761 1/20 0.38
POLB P06746 1/20 0.37
AR P10275 1/20 0.36
PREP P48147 1/20 0.36
DRD4 P21917 4/20 0.35
HTR1A P08908 3/20 0.35
DRD2 P14416 3/20 0.35
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
DRD3 P35462 3/20 0.35
HTR2B P41595 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAP3K5 Q99683 1/20 0.34
ADRA2A P08913 2/20 0.34
HTR7 P34969 2/20 0.34
ADRA1A P35348 2/20 0.34
HRH1 P35367 2/20 0.34

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
SCHEMBL4582419 0.91 ALDH1A1 (0.40) KMT2AMEN1NPY5RPOLBPREP
SCHEMBL4582622 0.86 CNR1 (0.40) KMT2AMEN1POLBARALDH1A1
SCHEMBL4583914 0.85 PDGFRB (0.45) KMT2AMEN1ALDH1A1
SCHEMBL4583456 0.85 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1
SCHEMBL4583239 0.85 MEN1 (0.40) KMT2AMEN1POLBARPREP
SCHEMBL4581745 0.84 MEN1 (0.43) KMT2AMEN1POLBPREPDRD4
SCHEMBL4582059 0.82 CNR1 (0.38) KMT2AMEN1POLBPREPDRD4
SCHEMBL4581570 0.80 DRD4 (0.42) KMT2ANPY5RDRD4DRD2HTR2C
SCHEMBL4583188 0.77 PDGFRB (0.47) KMT2AMEN1NPY5RALDH1A1
SCHEMBL4583461 0.77 MEN1 (0.43) KMT2AMEN1ALDH1A1

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 KMT2A 2513/4885MEN1 4553/4885NPY5R 1509/4885

“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.