SCHEMBL4582336

SCHEMBL4582336

S=C(Nc1cccc(Cl)c1Cl)NC1CCN(c2nncc3cc(Br)ccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.45
MAPK14 Q16539 1/20 0.41
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL4582578 0.93 PKM (0.49) PKMALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4582792 0.93 ALDH1A1 (0.51) PKMALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4583301 0.87 KMT2A (0.43) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL4583306 0.86 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL4582918 0.86 ALDH1A1 (0.51) PKMALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4582586 0.85 KMT2A (0.50) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL4584119 0.84 MAPK14 (0.44) PKMSMN1; SMN2KMT2AMAPK14HPGD
SCHEMBL4583961 0.84 HTT (0.49) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL4725551 0.84 EGFR (0.43) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL4728090 0.84 KMT2A (0.40) PKMALDH1A1SMN1; SMN2KMT2AMEN1

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 PKM 3678/4885ALDH1A1 866/4885SMN1; SMN2 4338/4885

“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.