SCHEMBL4582955

SCHEMBL4582955

O=C(NC1CCN(c2ccnc3ccc(Cl)cc23)CC1)N(S)c1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.49
ALDH1A1 P00352 2/20 0.46
IDE P14735 1/20 0.44
MAPK1 P28482 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CLK1 P49759 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CCR5 P51681 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL4583140 0.93 ALDH1A1 (0.56) PDGFRBALDH1A1IDEMAPK1MEN1
SCHEMBL4582252 0.91 PDGFRB (0.47) PDGFRBALDH1A1IDEMAPK1MEN1
SCHEMBL4583188 0.86 PDGFRB (0.47) PDGFRBALDH1A1IDEMAPK1MEN1
SCHEMBL4581745 0.84 MEN1 (0.43) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL4582469 0.84 ALDH1A1 (0.52) PDGFRBALDH1A1IDEMAPK1MEN1
SCHEMBL4583914 0.83 PDGFRB (0.45) PDGFRBALDH1A1IDEMAPK1MEN1
SCHEMBL4583403 0.81 CYP1A2 (0.52) PDGFRB
SCHEMBL4582518 0.80 CNR1 (0.46) PDGFRBALDH1A1IDEMAPK1MEN1
SCHEMBL4582302 0.80 CNR1 (0.46) PDGFRBALDH1A1IDEMAPK1MEN1
SCHEMBL4582322 0.79 ALDH1A1 (0.54) ALDH1A1IDEMAPK1MEN1KMT2A

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 4 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

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 129/4885ALDH1A1 866/4885IDE 3597/4885

“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.