SCHEMBL4583239

SCHEMBL4583239

O=C(NC1CCN(c2ccnc3c(Cl)cccc23)CC1)N(S)c1ccccc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.38
DRD2 P14416 4/20 0.37
DRD4 P21917 4/20 0.37
DRD3 P35462 4/20 0.37
HTR1A P08908 3/20 0.37
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
HTR2B P41595 2/20 0.37
AR P10275 2/20 0.37
PREP P48147 1/20 0.36
CYP46A1 Q9Y6A2 1/20 0.35
SMO Q99835 2/20 0.35
ADRA2A P08913 2/20 0.35
HTR7 P34969 2/20 0.35
ADRA1A P35348 2/20 0.35
HRH1 P35367 2/20 0.35
PAK1 Q13153 2/20 0.35
ABCB11 O95342 1/20 0.35

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
SCHEMBL4581745 0.93 MEN1 (0.43) MEN1KMT2APOLBDRD2DRD4
SCHEMBL4583465 0.85 KMT2A (0.38) MEN1KMT2APOLBDRD2DRD4
SCHEMBL4582469 0.83 ALDH1A1 (0.52) MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4582252 0.83 PDGFRB (0.47) MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4582419 0.83 ALDH1A1 (0.40) MEN1KMT2APOLBDRD2DRD4
SCHEMBL4582059 0.80 CNR1 (0.38) MEN1KMT2APOLBDRD2DRD4
SCHEMBL4582250 0.79 HRH4 (0.42) DRD2DRD4DRD3HTR2CPAK1
SCHEMBL4582622 0.78 CNR1 (0.40) MEN1KMT2APOLBARSMO
SCHEMBL4583140 0.77 ALDH1A1 (0.56) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL4582955 0.77 PDGFRB (0.49) MEN1KMT2ADRD2DRD3HTT

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 MEN1 4553/4885KMT2A 2513/4885POLB 4413/4885

“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.