SCHEMBL4582356

SCHEMBL4582356

CSc1ccccc1NC(=S)NC1CCN(c2nncc3ccc(Br)cc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
KMT2A Q03164 4/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38
CDK1 P06493 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
SCHEMBL4583961 0.93 HTT (0.49) HTTKMT2ALMNAALDH1A1MEN1
SCHEMBL4726680 0.91 HTT (0.41) HTTKMT2ALMNAALDH1A1MEN1
SCHEMBL4582189 0.89 ALDH1A1 (0.48) KMT2ALMNAALDH1A1MEN1SMN1; SMN2
SCHEMBL4583084 0.89 KMT2A (0.43) KMT2ALMNAALDH1A1MEN1SMN1; SMN2
SCHEMBL4582918 0.88 ALDH1A1 (0.51) KMT2ALMNAALDH1A1MEN1SMN1; SMN2
SCHEMBL4582536 0.85 KMT2A (0.48) KMT2ALMNAALDH1A1MEN1SMN1; SMN2
SCHEMBL4584325 0.85 ALDH1A1 (0.39) KMT2ALMNAALDH1A1MEN1SMN1; SMN2
SCHEMBL4584224 0.85 SMN1; SMN2 (0.42) KMT2ALMNASMN1; SMN2RAB9A
SCHEMBL4582578 0.84 PKM (0.49) KMT2ALMNAALDH1A1MEN1SMN1; SMN2
SCHEMBL4582271 0.83 KMT2A (0.39) KMT2ALMNAALDH1A1MEN1SMN1; 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 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 HTT 227/4885KMT2A 2513/4885LMNA 4575/4885

“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.