SCHEMBL4583402

SCHEMBL4583402

S=C(Nc1ccccc1Cl)NC1CCN(c2ncnc3cc(Cl)ccc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 1/20 0.54
PAK1 Q13153 4/20 0.53
ALDH1A1 P00352 5/20 0.51
PDGFRB P09619 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MALT1 Q9UDY8 1/20 0.43

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
SCHEMBL4582328 0.93 CYP1A2 (0.53) CYP1A2CYP2D6PAK1ALDH1A1PDGFRB
SCHEMBL4583190 0.91 CYP1A2 (0.53) CYP1A2CYP2D6PAK1ALDH1A1PDGFRB
SCHEMBL4583169 0.91 CYP1A2 (0.53) CYP1A2CYP2D6PAK1ALDH1A1PDGFRB
SCHEMBL4725033 0.90 MALT1 (0.47) CYP1A2CYP2D6PAK1PDGFRBMALT1
SCHEMBL4583103 0.89 CYP1A2 (0.51) CYP1A2CYP2D6PAK1ALDH1A1PDGFRB
SCHEMBL4584207 0.88 CYP1A2 (0.56) CYP1A2CYP2D6PAK1ALDH1A1PDGFRB
SCHEMBL4584679 0.86 CYP1A2 (0.50) CYP1A2CYP2D6PAK1ALDH1A1PDGFRB
SCHEMBL4582925 0.85 PAK1 (0.57) CYP1A2CYP2D6PAK1PDGFRBLMNA
SCHEMBL4583138 0.85 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL4726802 0.85 PAK1 (0.54) CYP1A2CYP2D6PAK1ALDH1A1PDGFRB

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 CYP1A2 88/4885CYP2D6 247/4885PAK1 1907/4885

“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.