SCHEMBL4582961

SCHEMBL4582961

COC(=O)c1cccc(NC(=S)NC2CCN(c3nccc4ccccc34)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.51
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
BPTF Q12830 1/20 0.48
LMNA P02545 1/20 0.47
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
ROCK2 O75116 2/20 0.43
PRKACA P17612 1/20 0.43
PRKACG P22612 1/20 0.43
PRKACB P22694 1/20 0.43
LIMK1 P53667 1/20 0.43
LIMK2 P53671 1/20 0.43

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
SCHEMBL4583335 0.90 MEN1 (0.55) MALT1NPC1RAB9AMEN1CYP1A2
SCHEMBL4583601 0.86 KMT2A (0.52) MALT1RAB9ALMNADRD2DRD4
SCHEMBL4780897 0.85 MALT1 (0.47) MALT1RAB9ADRD2DRD4MEN1
SCHEMBL4582822 0.84 ALDH1A1 (0.51) KMT2A
SCHEMBL4583560 0.83 MEN1 (0.55) MALT1LMNAMEN1CYP1A2CYP2D6
SCHEMBL4581567 0.83 MALT1 (0.45) MALT1MEN1KMT2A
SCHEMBL4584337 0.83 MALT1 (0.45) MALT1MEN1KMT2A
SCHEMBL4583157 0.82 MALT1 (0.51) MALT1LMNA
SCHEMBL4583980 0.81 CCNC (0.48) MALT1
SCHEMBL4582617 0.81 MAPT (0.49) NPC1RAB9ABPTFLMNAMEN1

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 628/4885NPC1 2029/4885RAB9A 3349/4885

“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.