SCHEMBL4584341

SCHEMBL4584341

CSc1cccc(NC(=O)N(S)C2CCN(c3nccc4ccccc34)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.47
UBE2M P61081 2/20 0.44
DCUN1D1 Q96GG9 2/20 0.44
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
GRM4 Q14833 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
TSHR P16473 1/20 0.39
KDR P35968 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
MAPT P10636 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
SCHEMBL4582077 0.90 MALT1 (0.47) MALT1LMNAKMT2AHRH4HCAR2
SCHEMBL4582824 0.87 HCAR2 (0.48) MALT1SMN1; SMN2HRH4HCAR2
SCHEMBL4583606 0.86 MALT1 (0.53) MALT1UBE2MDCUN1D1SMN1; SMN2MEN1
SCHEMBL4583985 0.84 JAK2 (0.51) MALT1DCUN1D1SMN1; SMN2GRM4KMT2A
SCHEMBL4584132 0.84 HCAR2 (0.46) MALT1LMNAMEN1KMT2AHRH4
SCHEMBL4582435 0.81 HCRTR1 (0.41) UBE2MDCUN1D1LMNASMN1; SMN2MEN1
SCHEMBL4583159 0.81 MALT1 (0.54) MALT1UBE2MDCUN1D1NPC1RAB9A
SCHEMBL4582374 0.80 NPC1 (0.40) UBE2MDCUN1D1LMNASMN1; SMN2NPC1
SCHEMBL4582265 0.80 CYP1A2 (0.47) MALT1LMNAMEN1KMT2AJAK2
SCHEMBL4584330 0.80 HCRTR1 (0.41) UBE2MDCUN1D1LMNASMN1; SMN2MEN1

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 MALT1 628/4885UBE2M 3488/4885DCUN1D1 4103/4885

“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.