SCHEMBL5800952

SCHEMBL5800952

CCOC(=O)CCCCN(C)S(=O)(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPK1 P28482 1/20 0.43
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
NLRP3 Q96P20 1/20 0.40
ALOX5 P09917 1/20 0.40
BDKRB1 P46663 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
LTA4H P09960 2/20 0.39
LMNA P02545 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
HTT P42858 1/20 0.38
TP53 P04637 1/20 0.37
POLB P06746 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
SCHEMBL5124229 0.83 GAA (0.48) L3MBTL1ALDH1A1BDKRB1HTT
SCHEMBL5803141 0.83 VCAM1 (0.39) KMT2ABDKRB1SMN1; SMN2LMNABCHE
SCHEMBL3485245 0.77 L3MBTL1 (0.54) L3MBTL1KMT2AALDH1A1TDP1MAPK1
SCHEMBL13017747 0.77 BDKRB1 (0.46) BDKRB1
SCHEMBL4032633 0.76 HTT (0.48) L3MBTL1ALDH1A1BDKRB1LMNAHTT
SCHEMBL645268 0.74 MAPT (0.45) L3MBTL1SMN1; SMN2LMNAHTT
SCHEMBL5800949 0.74 ALDH1A1 (0.45) KMT2AALDH1A1CYP4F2CYP4A11NLRP3
SCHEMBL4033897 0.73 GSTO1 (0.46) KMT2AALDH1A1BDKRB1
SCHEMBL9865284 0.72 DNM1 (0.46) L3MBTL1KMT2AALDH1A1TDP1MAPK1
SCHEMBL493618 0.70 BDKRB1 (0.53) KMT2AALDH1A1BDKRB1LMNAHTT

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-20060217362-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2006-09-28 US disclosed
WO-2006071775-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-07-06 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-20060217362-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 L3MBTL1 661/4885KMT2A 4104/4885ALDH1A1 3370/4885

“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.