SCHEMBL4582586

SCHEMBL4582586

S=C(Nc1cccc(Cl)c1)NC1CCN(c2nncc3cc(Br)ccc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
PAK1 Q13153 1/20 0.45
LMNA P02545 2/20 0.44
MAPK14 Q16539 1/20 0.42
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EGFR P00533 1/20 0.39
PIM1 P11309 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39

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
SCHEMBL4582544 0.97 KMT2A (0.48) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL4582329 0.93 KMT2A (0.50) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL4584119 0.93 MAPK14 (0.44) KMT2ALMNAMAPK14SMN1; SMN2
SCHEMBL4582502 0.90 KMT2A (0.48) KMT2AMEN1LMNAMAPK14ALDH1A1
SCHEMBL4582433 0.88 MAPK14 (0.41) KMT2ALMNAMAPK14ALDH1A1MAPT
SCHEMBL4583020 0.87 MAPK14 (0.40) KMT2AMAPK14ALDH1A1MAPTSMN1; SMN2
SCHEMBL4582547 0.87 MAPT (0.44) KMT2ALMNAALDH1A1MAPTMAPK1
SCHEMBL4910337 0.87 ALDH1A1 (0.45) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL4728090 0.86 KMT2A (0.40) KMT2AMEN1MAPK14ALDH1A1MAPT
SCHEMBL4583868 0.85 KMT2A (0.41) KMT2AMEN1LMNAALDH1A1SMN1; SMN2

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
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 KMT2A 2513/4885MEN1 4553/4885CYP1A2 88/4885

“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.