SCHEMBL4583456

SCHEMBL4583456

O=C(NC1CCN(c2ccnc3cc(Cl)ccc23)CC1)N(S)c1cccc(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
IDE P14735 2/20 0.48
MAPK1 P28482 2/20 0.48
CLK1 P49759 1/20 0.48
CCR5 P51681 1/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
STAT3 P40763 1/20 0.46
CHKA P35790 1/20 0.46

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
SCHEMBL4583914 0.93 PDGFRB (0.45) ALDH1A1MEN1KMT2AIDEMAPK1
SCHEMBL4582322 0.93 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AIDEMAPK1
SCHEMBL4582848 0.87 CYP1A2 (0.49)
SCHEMBL4581841 0.86 MEN1 (0.48) ALDH1A1MEN1KMT2AIDEMAPK1
SCHEMBL4583188 0.85 PDGFRB (0.47) ALDH1A1MEN1KMT2AIDEMAPK1
SCHEMBL4583465 0.85 KMT2A (0.38) ALDH1A1MEN1KMT2A
SCHEMBL4582469 0.85 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AIDEMAPK1
SCHEMBL4583140 0.83 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AIDEMAPK1
SCHEMBL4016423 0.83 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AIDEMAPK1
SCHEMBL4583400 0.82 RXFP1 (0.51) ALDH1A1MEN1KMT2AIDEMAPK1

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 866/4885MEN1 4553/4885KMT2A 2513/4885

“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.