SCHEMBL4583692

SCHEMBL4583692

COc1cccc(NC(=O)N(S)C2CCN(c3ccnc4c(Cl)cccc34)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 3/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
MAPT P10636 4/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
F10 P00742 2/20 0.42
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MGLL Q99685 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41

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
SCHEMBL4778924 0.92 SMN1; SMN2 (0.41) MEN1KMT2AKDM4ETP53TSHR
SCHEMBL4581982 0.92 ALDH1A1 (0.42) LMNASMN1; SMN2MALT1
SCHEMBL4582723 0.88 MALT1 (0.44) MEN1KMT2APOLBMALT1
SCHEMBL4582374 0.87 NPC1 (0.40) MEN1KMT2ATSHRMAPTLMNA
SCHEMBL4583861 0.86 PDGFRB (0.52) MEN1KMT2AKDM4ETP53TSHR
SCHEMBL4582320 0.86 KDM4E (0.53) MEN1KMT2AKDM4ETP53TSHR
SCHEMBL4582489 0.85 TP53 (0.49) TP53MAPTCCNCCDK8SMN1; SMN2
SCHEMBL4582613 0.83 MAPT (0.46) KMT2AMAPTLMNAPOLBMALT1
SCHEMBL4583284 0.82 POLB (0.39) MEN1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL4582643 0.81 JAK2 (0.42) TP53POLBMALT1THRB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MEN1 4553/4885KMT2A 2513/4885KDM4E 4022/4885

“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.