SCHEMBL4582247

SCHEMBL4582247

S=C(Nc1ccccc1Br)NC1CCN(c2nccc3ccccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 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
HTR2C P28335 1/20 0.44
PAK1 Q13153 1/20 0.44
PHGDH O43175 1/20 0.43
MALT1 Q9UDY8 1/20 0.41
SORD Q00796 2/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
DRD2 P14416 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
SCHEMBL4583236 0.88 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4EMEN1RAB9A
SCHEMBL4582850 0.88 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KDM4EMEN1RAB9A
SCHEMBL4584127 0.86 HTT (0.56) ALDH1A1SMN1; SMN2KDM4EMEN1RAB9A
SCHEMBL4584076 0.85 PKM (0.54) ALDH1A1SMN1; SMN2KDM4EMEN1RAB9A
SCHEMBL4582822 0.85 ALDH1A1 (0.51) ALDH1A1KMT2AHRH4HTR2CCA12
SCHEMBL4726520 0.83 KMT2A (0.40) ALDH1A1KMT2APHGDHMALT1
SCHEMBL4581567 0.83 MALT1 (0.45) ALDH1A1KDM4EMEN1KMT2APHGDH
SCHEMBL4581740 0.82 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4EMEN1RAB9A
SCHEMBL4582726 0.81 POLB (0.53) ALDH1A1SMN1; SMN2RAB9AHRH4PHGDH
SCHEMBL4583301 0.79 KMT2A (0.43) ALDH1A1SMN1; SMN2KDM4EMEN1RAB9A

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
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 ALDH1A1 866/4885SMN1; SMN2 4338/4885KDM4E 4022/4885

“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.