SCHEMBL4582374

SCHEMBL4582374

CSc1cccc(NC(=O)N(S)C2CCN(c3ccnc4c(Cl)cccc34)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
GRM4 Q14833 1/20 0.40
UBE2M P61081 3/20 0.39
DCUN1D1 Q96GG9 3/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HCRTR1 O43613 4/20 0.39
HCRTR2 O43614 4/20 0.39
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL4582613 0.92 MAPT (0.46) LMNAKMT2AMAPT
SCHEMBL4582723 0.88 MALT1 (0.44) MEN1KMT2AHTT
SCHEMBL4583692 0.87 MEN1 (0.49) SMN1; SMN2TSHRLMNAMEN1KMT2A
SCHEMBL4582816 0.86 MEN1 (0.48) MEN1KMT2AMAPT
SCHEMBL4584606 0.86 PDGFRB (0.46) NPC1SMN1; SMN2RAB9AGRM4MEN1
SCHEMBL4778924 0.85 SMN1; SMN2 (0.41) SMN1; SMN2TSHRUBE2MDCUN1D1LMNA
SCHEMBL4582489 0.85 TP53 (0.49) SMN1; SMN2GRM4DCUN1D1MAPT
SCHEMBL4583179 0.85 ALDH1A1 (0.40) SMN1; SMN2RAB9ALMNAMEN1KMT2A
SCHEMBL4581982 0.83 ALDH1A1 (0.42) NPC1SMN1; SMN2RAB9ALMNAHTT
SCHEMBL4583284 0.82 POLB (0.39) SMN1; SMN2RAB9AUBE2MDCUN1D1MEN1

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 NPC1 2029/4885SMN1; SMN2 4338/4885TSHR 83/4885

“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.