SCHEMBL4582318

SCHEMBL4582318

S=C(Nc1cccc(Cl)c1)NC1CCN(c2ccnc3cc(Cl)ccc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
PKM P14618 1/20 0.53
ALOX15 P16050 1/20 0.53
CASP1 P29466 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CHKA P35790 1/20 0.52
ALDH1A1 P00352 1/20 0.52
ADRB2 P07550 1/20 0.50
NCF1 P14598 1/20 0.50

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
SCHEMBL4581520 0.93 PDGFRB (0.55) PKMALOX15CASP1HSD17B10CHKA
SCHEMBL4583451 0.92 PKM (0.49) MEN1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4583177 0.92 MEN1 (0.56) MEN1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4582814 0.90 PKM (0.47) PKMALOX15CASP1HSD17B10CHKA
SCHEMBL4583189 0.90 ADRB2 (0.47) PKMALOX15CASP1HSD17B10CHKA
SCHEMBL4582316 0.90 GAA (0.53)
SCHEMBL4581838 0.88 KDM4E (0.49) MEN1KMT2AALDH1A1
SCHEMBL4582992 0.87
SCHEMBL4728075 0.86 KDM4E (0.44) PKMALOX15CASP1HSD17B10ALDH1A1
SCHEMBL4583022 0.85 PKM (0.52) MEN1KMT2APKMALOX15CASP1

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 8 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
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
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 4553/4885CYP1A2 88/4885CYP3A4 210/4885

“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.