SCHEMBL4582433

SCHEMBL4582433

CSc1cccc(NC(=S)NC2CCN(c3nncc4cc(Br)ccc34)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.41
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL4584325 0.93 ALDH1A1 (0.39) ALDH1A1MAPTHCRTR1HCRTR2LMNA
SCHEMBL4582683 0.91 SMN1; SMN2 (0.42) LMNAKMT2ARAB9ASMN1; SMN2
SCHEMBL4584119 0.91 MAPK14 (0.44) MAPK14LMNAKMT2ARAB9APKM
SCHEMBL4582502 0.88 KMT2A (0.48) MAPK14ALDH1A1MAPTLMNAKMT2A
SCHEMBL4582586 0.88 KMT2A (0.50) MAPK14ALDH1A1MAPTLMNAKMT2A
SCHEMBL4582547 0.87 MAPT (0.44) ALDH1A1MAPTLMNAKMT2ARAB9A
SCHEMBL4582544 0.85 KMT2A (0.48) ALDH1A1MAPTLMNAKMT2ASMN1; SMN2
SCHEMBL4583020 0.85 MAPK14 (0.40) MAPK14ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL4726353 0.85 NPC1 (0.40) MAPK14ALDH1A1MAPTHCRTR1HCRTR2
SCHEMBL4583961 0.85 HTT (0.49) MAPK14ALDH1A1MAPTLMNAKMT2A

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 MAPK14 3040/4885ALDH1A1 866/4885MAPT 4796/4885

“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.