SCHEMBL4583320

SCHEMBL4583320

N#Cc1cccc(NC(=S)NC2CCN(c3nncc4ccc(Br)cc34)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
TP53 P04637 1/20 0.39
IDO1 P14902 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.37

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
SCHEMBL4727929 0.97 ALDH1A1 (0.39) CCNCCDK8ALDH1A1MAPTTP53
SCHEMBL4583020 0.93 MAPK14 (0.40) CCNCCDK8ALDH1A1MAPTTP53
SCHEMBL4582338 0.91 SMN1; SMN2 (0.42) KMT2A
SCHEMBL4583868 0.90 KMT2A (0.41) ALDH1A1KMT2A
SCHEMBL4582536 0.88 KMT2A (0.48) ALDH1A1MAPTKMT2A
SCHEMBL4582329 0.87 KMT2A (0.50) ALDH1A1MAPTTP53KMT2A
SCHEMBL4584325 0.85 ALDH1A1 (0.39) ALDH1A1MAPTKMT2A
SCHEMBL4584112 0.85 MAPT (0.44) ALDH1A1MAPTKMT2A
SCHEMBL4727879 0.84 MEN1 (0.42) CCNCCDK8ALDH1A1MAPTTP53
SCHEMBL4581833 0.83 SMN1; SMN2 (0.42) KMT2A

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 5 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

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 CCNC 3829/4885CDK8 1795/4885ALDH1A1 866/4885

“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.