SCHEMBL4910337

SCHEMBL4910337

S=C(Nc1cccc(Cl)c1)NC1CCN(c2nncc3ccc(Br)cc23)CC1.S=C(Nc1ccccc1Cl)NC1CCN(c2nncc3ccc(Br)cc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 3/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
BLM P54132 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PAK1 Q13153 1/20 0.41
EGFR P00533 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
SCHEMBL4582329 0.94 KMT2A (0.50) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4582918 0.93 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4582578 0.88 PKM (0.49) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4582586 0.87 KMT2A (0.50) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4583868 0.87 KMT2A (0.41) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL4582544 0.86 KMT2A (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4582792 0.86 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4582536 0.86 KMT2A (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4583084 0.84 KMT2A (0.43) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4582189 0.83 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT

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 1 patent. 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

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 ALDH1A1 866/4885SMN1; SMN2 4338/4885MEN1 4553/4885

“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.