SCHEMBL4582850

SCHEMBL4582850

Cc1ccccc1NC(=S)NC1CCN(c2nccc3ccccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PHGDH O43175 1/20 0.48
HRH4 Q9H3N8 1/20 0.47
HCAR2 Q8TDS4 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
ALOX12 P18054 1/20 0.45
HTR2C P28335 1/20 0.44
PAK1 Q13153 1/20 0.44
MALT1 Q9UDY8 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 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
SCHEMBL4584127 0.88 HTT (0.56) ALDH1A1KDM4EMEN1RAB9AKMT2A
SCHEMBL4582247 0.88 ALDH1A1 (0.49) ALDH1A1KDM4EMEN1RAB9AKMT2A
SCHEMBL4583236 0.88 ALDH1A1 (0.54) ALDH1A1KDM4EMEN1RAB9AKMT2A
SCHEMBL4582726 0.85 POLB (0.53) ALDH1A1RAB9ASMN1; SMN2PHGDHHRH4
SCHEMBL4584076 0.85 PKM (0.54) ALDH1A1KDM4EMEN1RAB9AKMT2A
SCHEMBL4582822 0.85 ALDH1A1 (0.51) ALDH1A1KMT2AHRH4HTR2C
SCHEMBL4726520 0.83 KMT2A (0.40) ALDH1A1KMT2APHGDHMALT1
SCHEMBL4581740 0.82 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1RAB9AKMT2A
SCHEMBL4582075 0.81 MALT1 (0.45) PHGDHHRH4HTR2CMALT1
SCHEMBL4583157 0.81 MALT1 (0.51) ALDH1A1LMNAGAAALOX12PAK1

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 866/4885KDM4E 4022/4885MEN1 4553/4885

“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.