SCHEMBL4581982

SCHEMBL4581982

COc1ccc(NC(=O)N(S)C2CCN(c3ccnc4c(Cl)cccc34)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
PDGFRB P09619 4/20 0.40
MALT1 Q9UDY8 1/20 0.40
F11 P03951 1/20 0.39
KLKB1 P03952 1/20 0.39
MCHR1 Q99705 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4583692 0.92 MEN1 (0.49) LMNAMALT1SMN1; SMN2
SCHEMBL4582723 0.89 MALT1 (0.44) HSD17B10PDGFRBMALT1HTT
SCHEMBL4582613 0.88 MAPT (0.46) ALDH1A1LMNACCNE1CDK2PDGFRB
SCHEMBL4582643 0.86 JAK2 (0.42) GAAMALT1
SCHEMBL4778924 0.85 SMN1; SMN2 (0.41) ALDH1A1LMNAMAPK1HTTSMN1; SMN2
SCHEMBL4582374 0.83 NPC1 (0.40) LMNANPC1RAB9AHTTSMN1; SMN2
SCHEMBL4583284 0.83 POLB (0.39) RAB9AHTTSMN1; SMN2
SCHEMBL4583204 0.83 PDGFRB (0.56) GAAPDGFRB
SCHEMBL4583300 0.83 GAA (0.57) ALDH1A1GAAPDGFRBMAPK1
SCHEMBL4582489 0.81 TP53 (0.49) MALT1MCHR1SMN1; SMN2

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 ALDH1A1 866/4885GAA 3926/4885LMNA 4575/4885

“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.