SCHEMBL4582504

SCHEMBL4582504

O=C(Nc1ccccc1)N(S)C1CCN(c2nncc3cc(Br)ccc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.44
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNH2 Q12809 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
MAPK14 Q16539 2/20 0.39
LCK P06239 1/20 0.35
KIT P10721 1/20 0.35
KDR P35968 1/20 0.35
MAPK9 P45984 1/20 0.35
C1S P09871 1/20 0.35
PPARG P37231 1/20 0.35
ATM Q13315 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
MALT1 Q9UDY8 1/20 0.34
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
FAAH O00519 1/20 0.33
PAK1 Q13153 1/20 0.33

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
SCHEMBL4582539 0.93 PDGFRB (0.44) PDGFRBLMNAKMT2AKCNH2HRH3
SCHEMBL4582435 0.89 HCRTR1 (0.41) LMNAKMT2AMAPK14UBE2MDCUN1D1
SCHEMBL4582690 0.89 PDGFRB (0.38) PDGFRBLMNAKMT2AMAPK14LCK
SCHEMBL4583950 0.89 PDGFRB (0.43) PDGFRBLMNAKMT2AKDRRXFP1
SCHEMBL4581836 0.89 JAK2 (0.43) PDGFRBLMNAKMT2AMAPK14LCK
SCHEMBL4582550 0.88 MAPT (0.43) PDGFRBKMT2AKDRTP53MAPT
SCHEMBL4583025 0.88 JAK2 (0.46) KMT2AMAPK14C1SDCUN1D1TP53
SCHEMBL4583964 0.86 LMNA (0.39) PDGFRBLMNAKMT2AMAPK14LCK
SCHEMBL4582340 0.84 MAPK14 (0.38) PDGFRBLMNAKMT2AMAPK14LCK
SCHEMBL4583187 0.83 UBE2M (0.39) PDGFRBLMNAKMT2AMAPK14KDR

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
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 PDGFRB 129/4885LMNA 4575/4885KMT2A 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.