SCHEMBL4584115

SCHEMBL4584115

COc1cccc(NC(=O)N(S)C2CCN(c3nncc4ccc(Br)cc34)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
TP53 P04637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDR P35968 1/20 0.40
PDGFRB P09619 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 3/20 0.39
LIMK2 P53671 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MCL1 Q07820 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL4582550 0.94 MAPT (0.43) MAPTMEN1KMT2ATP53KDM4E
SCHEMBL4583676 0.91 PDGFRB (0.43) MEN1KMT2ATP53TSHRSMN1; SMN2
SCHEMBL4582539 0.88 PDGFRB (0.44) MAPTMEN1KMT2ATP53SMN1; SMN2
SCHEMBL4584330 0.88 HCRTR1 (0.41) MAPTMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL4583326 0.85 JAK2 (0.46) MAPTKMT2ATP53TSHRSMN1; SMN2
SCHEMBL4583950 0.84 PDGFRB (0.43) MEN1KMT2ATP53TSHRSMN1; SMN2
SCHEMBL4584227 0.83 PDGFRB (0.38) MAPTKMT2APDGFRBALDH1A1
SCHEMBL4582435 0.81 HCRTR1 (0.41) MAPTMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL4582504 0.81 PDGFRB (0.44) MAPTKMT2ATP53SMN1; SMN2KDR
SCHEMBL4584112 0.81 MAPT (0.44) MAPTKMT2ARAB9AALDH1A1TDP1

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 MAPT 4796/4885MEN1 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.