SCHEMBL4582928

SCHEMBL4582928

S=C(Nc1cccc(Cl)c1Cl)NC1CCN(c2ccnc3ccc(Cl)cc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.52
ALDH1A1 P00352 4/20 0.45
LMNA P02545 1/20 0.45
PHGDH O43175 1/20 0.43
PDGFRB P09619 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 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
SCHEMBL4583022 0.93 PKM (0.52) PKMALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL4582950 0.92 ALDH1A1 (0.52) ALDH1A1LMNAPDGFRBSMN1; SMN2MEN1
SCHEMBL4729809 0.88 MEN1 (0.48) ALDH1A1LMNAPDGFRBSMN1; SMN2MEN1
SCHEMBL4582248 0.87 PDGFRB (0.45) ALDH1A1LMNAPDGFRBSMN1; SMN2MEN1
SCHEMBL4583992 0.87 ALDH1A1 (0.52) ALDH1A1LMNAPDGFRB
SCHEMBL4583177 0.85 MEN1 (0.56) LMNAPDGFRBMEN1CYP1A2CYP2C19
SCHEMBL4583309 0.85 HTT (0.51) ALDH1A1LMNAPDGFRBMAPTMAPK1
SCHEMBL4583138 0.85 ALDH1A1 (0.58) PKMALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL4583282 0.84 PKM (0.56) PKMALDH1A1PHGDHSMN1; SMN2MEN1
SCHEMBL4583521 0.84 PDGFRB (0.55) ALDH1A1LMNAPDGFRBMAPTPOLB

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 PKM 3678/4885ALDH1A1 866/4885LMNA 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.