SCHEMBL4583964

SCHEMBL4583964

CSc1ccccc1NC(=O)N(S)C1CCN(c2nncc3cc(Br)ccc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
KMT2A Q03164 1/20 0.39
MAPK14 Q16539 2/20 0.36
PDGFRB P09619 1/20 0.35
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
LCK P06239 1/20 0.34
KIT P10721 1/20 0.34
KDR P35968 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
TP53 P04637 2/20 0.33
FAAH O00519 1/20 0.33
HPGD P15428 1/20 0.33
CASP3 P42574 1/20 0.33

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
SCHEMBL4582359 0.93 LMNA (0.39) LMNAKMT2APDGFRBALDH1A1SMN1; SMN2
SCHEMBL4582504 0.86 PDGFRB (0.44) LMNAKMT2AMAPK14PDGFRBSMN1; SMN2
SCHEMBL4582435 0.86 HCRTR1 (0.41) LMNAKMT2AMAPK14ALDH1A1SMN1; SMN2
SCHEMBL4582690 0.86 PDGFRB (0.38) LMNAKMT2AMAPK14PDGFRBALDH1A1
SCHEMBL4582340 0.85 MAPK14 (0.38) LMNAKMT2AMAPK14PDGFRBSMN1; SMN2
SCHEMBL4583187 0.84 UBE2M (0.39) LMNAKMT2AMAPK14PDGFRBPOLB
SCHEMBL4583961 0.82 HTT (0.49) LMNAKMT2AMAPK14ALDH1A1SMN1; SMN2
SCHEMBL4583950 0.81 PDGFRB (0.43) LMNAKMT2APDGFRBSMN1; SMN2POLB
SCHEMBL4582550 0.80 MAPT (0.43) KMT2APDGFRBALDH1A1SMN1; SMN2RAB9A
SCHEMBL4584132 0.80 HCAR2 (0.46) LMNAKMT2AALDH1A1FAAH

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 6 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
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 LMNA 4575/4885KMT2A 2513/4885MAPK14 3040/4885

“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.