SCHEMBL5377536

SCHEMBL5377536

Cc1cc(S(=O)(=O)CNCCNC(=O)CCc2ccc(C#N)cc2)c(C)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.41
GRIN2B Q13224 3/20 0.41
KCNH2 Q12809 1/20 0.41
PYGL P06737 1/20 0.38
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CNR1 P21554 1/20 0.37
FFAR1 O14842 1/20 0.36
POLB P06746 3/20 0.36
MAPT P10636 2/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.35
TP53 P04637 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
SCHEMBL5242481 0.84 CDK8 (0.35) ALDH1A1GAASMN1; SMN2CNR1FFAR1
SCHEMBL5377532 0.82 GRIN1 (0.39) GRIN1GRIN2BKCNH2PYGLKMT2A
SCHEMBL5385344 0.81 BDKRB1 (0.48)
SCHEMBL5377293 0.77 GRIN1 (0.42) GRIN1GRIN2BKCNH2PYGLKMT2A
SCHEMBL5384364 0.73 CNR1 (0.41) GRIN1GRIN2BKMT2AALDH1A1SMN1; SMN2
SCHEMBL5242486 0.70 CCNT1 (0.40) KMT2AALDH1A1SMN1; SMN2FFAR1
SCHEMBL5396907 0.68 CNR1 (0.36) KMT2AALDH1A1GAASMN1; SMN2CNR1
SCHEMBL5377585 0.68 CNR1 (0.38) KMT2AALDH1A1GAASMN1; SMN2CNR1
SCHEMBL5315403 0.67 HDAC1 (0.46) KCNH2ALDH1A1GAASMN1; SMN2CNR1
SCHEMBL5378914 0.67 BDKRB1 (0.49)

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 111/4885KCNH2 128/4885

“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.