SCHEMBL4583284

SCHEMBL4583284

O=C(Nc1cccc(Cl)c1Cl)N(S)C1CCN(c2ccnc3c(Cl)cccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
PREP P48147 1/20 0.37
PKM P14618 1/20 0.37
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2B P41595 1/20 0.36
MAP4K4 O95819 1/20 0.36
CSNK2A1 P68400 1/20 0.36
HIPK4 Q8NE63 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
RAB9A P51151 1/20 0.36
PHGDH O43175 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
SCHEMBL4583179 0.88 ALDH1A1 (0.40) POLBMEN1KMT2APREPRAB9A
SCHEMBL4582723 0.88 MALT1 (0.44) POLBMEN1KMT2APREPHTR1A
SCHEMBL4583027 0.85 ALDH1A1 (0.53) MEN1KMT2APKMMAPTSMN1; SMN2
SCHEMBL4582933 0.85 PDGFRB (0.47) MEN1KMT2AMAPTKDM4E
SCHEMBL4583213 0.85 UBE2M (0.40) UBE2MDCUN1D1HTR2BMAP4K4CSNK2A1
SCHEMBL4582643 0.83 JAK2 (0.42) POLBPREPTRPV1
SCHEMBL4582613 0.83 MAPT (0.46) POLBKMT2APREPHTR2CHTR2B
SCHEMBL4581982 0.83 ALDH1A1 (0.42) RAB9AHTTSMN1; SMN2
SCHEMBL4584085 0.82 MALT1 (0.49) UBE2MDCUN1D1MEN1KMT2AHTR2C
SCHEMBL4582374 0.82 NPC1 (0.40) UBE2MDCUN1D1MEN1KMT2ARAB9A

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 6 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
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 POLB 4413/4885UBE2M 3488/4885DCUN1D1 4103/4885

“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.