SCHEMBL5377293

SCHEMBL5377293

N#Cc1ccc(CCC(=O)NCCCNCS(=O)(=O)c2cccc(Cl)c2Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.42
GRIN2B Q13224 2/20 0.42
PYGL P06737 1/20 0.40
POLB P06746 1/20 0.38
KCNH2 Q12809 1/20 0.37
GAA P10253 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CNR1 P21554 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
HPGD P15428 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
FLT3 P36888 1/20 0.36
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35

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
SCHEMBL5384364 0.92 CNR1 (0.41) GRIN1GRIN2BPOLBALDH1A1SMN1; SMN2
SCHEMBL5402475 0.83 CNR1 (0.35) GAAALDH1A1SMN1; SMN2CNR1KMT2A
SCHEMBL5385750 0.81 CNR1 (0.35) POLBCNR1
SCHEMBL5396907 0.81 CNR1 (0.36) POLBGAAALDH1A1SMN1; SMN2CNR1
SCHEMBL5377297 0.81 GAA (0.41) GRIN1GRIN2BPYGLPOLBKCNH2
SCHEMBL5381884 0.81 BDKRB1 (0.46) FLT3
SCHEMBL5383629 0.80 CNR1 (0.34) POLBALDH1A1SMN1; SMN2CNR1KMT2A
SCHEMBL5393043 0.80 CNR1 (0.38) ALDH1A1CNR1KMT2AMEN1
SCHEMBL5390399 0.79 CA12 (0.35) CNR1
SCHEMBL5393893 0.79 LTB4R2 (0.38) ALDH1A1CNR1KMT2AMEN1HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291642-B2 Bradykinin-B1 antagonists, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-06 US disclosed
US-20060100219-A1 Novel bradykinin-B1 antagonists, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-11 US 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-20060100219-A1 Novel bradykinin-B1 antagonists, process for their preparation and their use as medicaments BDKRB1, BDKRB2, MRGPRX1 GRIN1 76/4885GRIN2B 111/4885PYGL 3982/4885

“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.