SCHEMBL4583236

SCHEMBL4583236

S=C(Nc1ccccc1Cl)NC1CCN(c2nccc3ccccc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
PAK1 Q13153 2/20 0.49
MALT1 Q9UDY8 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
HCAR2 Q8TDS4 1/20 0.45
HRH4 Q9H3N8 1/20 0.44
PKM P14618 1/20 0.44
HTR2C P28335 1/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL4584076 0.93 PKM (0.54) ALDH1A1SMN1; SMN2PAK1MALT1KDM4E
SCHEMBL4582850 0.88 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2PAK1MALT1KDM4E
SCHEMBL4582247 0.88 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2PAK1MALT1KDM4E
SCHEMBL4726414 0.87 MALT1 (0.51) ALDH1A1MALT1POLB
SCHEMBL4584127 0.86 HTT (0.56) ALDH1A1SMN1; SMN2PAK1MALT1KDM4E
SCHEMBL4582822 0.85 ALDH1A1 (0.51) ALDH1A1KMT2AHRH4HTR2C
SCHEMBL4583560 0.83 MEN1 (0.55) PAK1MALT1MEN1KMT2ALMNA
SCHEMBL4581740 0.82 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2PAK1MALT1KDM4E
SCHEMBL4581737 0.81 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2PAK1KDM4EMEN1
SCHEMBL4582726 0.81 POLB (0.53) ALDH1A1SMN1; SMN2MALT1RAB9AHRH4

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 ALDH1A1 866/4885SMN1; SMN2 4338/4885PAK1 1907/4885

“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.