SCHEMBL4583028

SCHEMBL4583028

COC(=O)c1ccc(NC(=S)NC2CCN(c3nncc4cc(Br)ccc34)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 3/20 0.46
MAPK14 Q16539 2/20 0.43
LCK P06239 1/20 0.43
KIT P10721 1/20 0.43
KDR P35968 1/20 0.43
MAPK9 P45984 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EPHX2 P34913 1/20 0.40

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
SCHEMBL4584003 0.93 MEN1 (0.51) MEN1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4725020 0.93 MAPT (0.44) MEN1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4583648 0.91 MAPK14 (0.46) MEN1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4727879 0.91 MEN1 (0.42) MEN1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4583945 0.89 EGFR (0.46) KDRSMN1; SMN2
SCHEMBL4583133 0.88 SMN1; SMN2 (0.46) CYP1A2CYP2C19KMT2AALDH1A1SMN1; SMN2
SCHEMBL4779982 0.86 ALDH1A1 (0.44) MEN1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4582502 0.86 KMT2A (0.48) MEN1KMT2AMAPTMAPK14KDR
SCHEMBL4582683 0.85 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2
SCHEMBL4582143 0.84 NPC1 (0.45) MEN1CYP1A2CYP2D6CYP2C9CYP2C19

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 MEN1 4553/4885CYP1A2 88/4885CYP2D6 247/4885

“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.