SCHEMBL5377586

SCHEMBL5377586

CN(CCc1ccc(C#N)cc1)C(=O)CCN(C)S(=O)(=O)c1cc(Cl)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
BDKRB1 P46663 2/20 0.41
CDK8 P49336 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
GSTO1 P78417 2/20 0.38
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA9 Q16790 2/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL5385870 0.89 RAB9A (0.46) ALDH1A1L3MBTL1CDK8CLK4HTT
SCHEMBL5384358 0.88 BDKRB1 (0.40) BDKRB1CDK8CLK4SMN1; SMN2KDM4E
SCHEMBL5377585 0.83 CNR1 (0.38) ALDH1A1L3MBTL1KMT2ACDK8CLK4
SCHEMBL5381890 0.81 BDKRB1 (0.65) ALDH1A1L3MBTL1KMT2ATDP1BDKRB1
SCHEMBL5390477 0.79 BDKRB1 (0.38) L3MBTL1BDKRB1CDK8CLK4
SCHEMBL5385755 0.78 BDKRB1 (0.45) TDP1BDKRB1CDK8CLK4CNR1
SCHEMBL5383440 0.78 PKM (0.39) L3MBTL1BDKRB1
SCHEMBL5242486 0.77 CCNT1 (0.40) ALDH1A1KMT2ABDKRB1CDK8CLK4
SCHEMBL5385426 0.76 BDKRB1 (0.66) ALDH1A1L3MBTL1KMT2ATDP1BDKRB1
SCHEMBL5392256 0.76 BDKRB1 (0.62) BDKRB1

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 ALDH1A1 3179/4885L3MBTL1 3791/4885KMT2A 2730/4885

“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.