SCHEMBL4582340

SCHEMBL4582340

O=C(Nc1cccc(Cl)c1Cl)N(S)C1CCN(c2nncc3cc(Br)ccc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.38
KMT2A Q03164 4/20 0.35
LMNA P02545 2/20 0.35
UBE2M P61081 2/20 0.35
DCUN1D1 Q96GG9 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDGFRB P09619 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TSHR P16473 2/20 0.34
LCK P06239 1/20 0.33
KIT P10721 1/20 0.33
KDR P35968 1/20 0.33
MAPK9 P45984 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
MEN1 O00255 2/20 0.32
MALT1 Q9UDY8 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL4582584 0.93 KMT2A (0.35) MAPK14KMT2ALMNAUBE2MDCUN1D1
SCHEMBL4583964 0.85 LMNA (0.39) MAPK14KMT2ALMNASMN1; SMN2PDGFRB
SCHEMBL4582504 0.84 PDGFRB (0.44) MAPK14KMT2ALMNAUBE2MDCUN1D1
SCHEMBL4583187 0.82 UBE2M (0.39) MAPK14KMT2ALMNAUBE2MDCUN1D1
SCHEMBL4582336 0.82 PKM (0.49) MAPK14KMT2ALMNAMAPK1SMN1; SMN2
SCHEMBL4582435 0.81 HCRTR1 (0.41) MAPK14KMT2ALMNAUBE2MDCUN1D1
SCHEMBL4582550 0.80 MAPT (0.43) KMT2AHTTSMN1; SMN2PDGFRBTSHR
SCHEMBL4583025 0.80 JAK2 (0.46) MAPK14KMT2ADCUN1D1MAPK1SMN1; SMN2
SCHEMBL4584085 0.79 MALT1 (0.49) KMT2AUBE2MDCUN1D1RXFP1MEN1
SCHEMBL4581836 0.79 JAK2 (0.43) MAPK14KMT2ALMNAPDGFRBLCK

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 6 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
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 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 MAPK14 3040/4885KMT2A 2513/4885LMNA 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.