SCHEMBL4582950

SCHEMBL4582950

S=C(Nc1ccccc1Cl)NC1CCN(c2ccnc3ccc(Cl)cc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PDGFRB P09619 1/20 0.47

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
SCHEMBL4729809 0.94 MEN1 (0.48) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL4582928 0.92 PKM (0.52) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL4583138 0.92 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL4582248 0.90 PDGFRB (0.45) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL4583992 0.90 ALDH1A1 (0.52) ALDH1A1LMNAPDGFRB
SCHEMBL4583309 0.89 HTT (0.51) ALDH1A1LMNAMAPTMAPK1PDGFRB
SCHEMBL4583521 0.88 PDGFRB (0.55) ALDH1A1LMNAMAPTPDGFRB
SCHEMBL4726941 0.86 PDGFRB (0.49) PDGFRB
SCHEMBL4582522 0.86 KDM4E (0.46) MAPTMAPK1PDGFRB
SCHEMBL4583177 0.85 MEN1 (0.56) LMNAMEN1KMT2ACYP1A2CYP2C19

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 ALDH1A1 866/4885SMN1; SMN2 4338/4885LMNA 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.