SCHEMBL4583173

SCHEMBL4583173

CSc1ccccc1NC(=S)NC1CCN(c2ccnc3c(Cl)cccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 5/20 0.46
PKM P14618 1/20 0.45
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 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
SCHEMBL4726949 0.91 HTT (0.43) HTTSMN1; SMN2ALDH1A1PKM
SCHEMBL4581737 0.90 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1PKMPOLBKDM4E
SCHEMBL4585182 0.89 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1PKMPOLB
SCHEMBL4583282 0.88 PKM (0.56) SMN1; SMN2ALDH1A1PKMPOLBKDM4E
SCHEMBL4583234 0.87 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1PKMPOLBKDM4E
SCHEMBL4582608 0.85 MAPT (0.44) ALDH1A1POLB
SCHEMBL4582720 0.84 ALDH1A1 (0.50) ALDH1A1POLBKMT2A
SCHEMBL4582372 0.84 MEN1 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL4583309 0.83 HTT (0.51) HTTALDH1A1KDM4E
SCHEMBL4582812 0.83 HTT (0.51) HTTALDH1A1PKMKDM4E

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 227/4885SMN1; SMN2 4338/4885ALDH1A1 866/4885

“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.