SCHEMBL4583084

SCHEMBL4583084

S=C(Nc1ccccc1Br)NC1CCN(c2nncc3ccc(Br)cc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 1/20 0.40
CDK1 P06493 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
TRPV1 Q8NER1 2/20 0.36
TRPM8 Q7Z2W7 1/20 0.36

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
SCHEMBL4583301 0.93 KMT2A (0.43) KMT2AALDH1A1MEN1SMN1; SMN2MAPT
SCHEMBL4582918 0.91 ALDH1A1 (0.51) KMT2AALDH1A1MEN1SMN1; SMN2MAPT
SCHEMBL4582189 0.91 ALDH1A1 (0.48) KMT2AALDH1A1MEN1SMN1; SMN2MAPT
SCHEMBL4582356 0.89 HTT (0.49) KMT2AALDH1A1MEN1SMN1; SMN2MAPT
SCHEMBL4582536 0.89 KMT2A (0.48) KMT2AALDH1A1MEN1SMN1; SMN2MAPT
SCHEMBL4727782 0.88 RAB9A (0.43) KMT2AALDH1A1MAPTMAPK1LMNA
SCHEMBL4582578 0.87 PKM (0.49) KMT2AALDH1A1MEN1SMN1; SMN2MAPT
SCHEMBL4728090 0.87 KMT2A (0.40) KMT2AALDH1A1MEN1SMN1; SMN2MAPT
SCHEMBL4582271 0.86 KMT2A (0.39) KMT2AALDH1A1MEN1SMN1; SMN2MAPT
SCHEMBL4583868 0.86 KMT2A (0.41) KMT2AALDH1A1MEN1SMN1; SMN2LMNA

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 KMT2A 2513/4885ALDH1A1 866/4885MEN1 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.