SCHEMBL4401695

SCHEMBL4401695

CC(C)(C)OC(=O)N1CCn2c(/C=C\[N+](=O)[O-])ccc2C1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.58
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
ESR2 Q92731 1/20 0.38
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.36
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
TGM2 P21980 3/20 0.36
F13A1 P00488 2/20 0.36
TGM1 P22735 2/20 0.36
KCNH2 Q12809 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MET P08581 1/20 0.35
STS P08842 1/20 0.35
GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL4399096 0.82 NR1H2 (0.63) NR1H2ALDH1A1LMNAMAPTESR2
SCHEMBL4403708 0.81 NR1H2 (0.62) NR1H2ALDH1A1LMNAMAPTESR2
SCHEMBL4404349 0.79 NR1H2 (0.57) NR1H2ALDH1A1LMNAMAPTESR2
SCHEMBL4401776 0.77 NR1H2 (0.55) NR1H2MAPTMAPK1POLBCKS1B
SCHEMBL4399101 0.75 NR1H2 (0.55) NR1H2ALDH1A1LMNAMAPTESR2
SCHEMBL26910001 0.73 NR1H2 (0.76) NR1H2ALDH1A1LMNAMAPTESR2
SCHEMBL25412917 0.71 NR1H2 (0.62) NR1H2ALDH1A1LMNAMAPTESR2
SCHEMBL4401692 0.71 NR1H2 (0.58) NR1H2ALDH1A1LMNAMAPTESR2
SCHEMBL14636031 0.70 NR1H2 (0.61) NR1H2ALDH1A1LMNAMAPTESR2
SCHEMBL6711945 0.70 CHRM2 (0.44) NR1H2ALDH1A1LMNAMAPTTGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263598-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-11 US disclosed
US-8178535-B2 Substituted sulfonamide compounds having bradykinin 1 receptor activity and use thereof as medicaments GRUENENTHAL GMBH (DE) 2012-05-15 US disclosed
US-20090203672-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-08-13 US disclosed
US-20090186899-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-07-23 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 (2 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-20090186899-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 NR1H2 999/4885ALDH1A1 3693/4885LMNA 1162/4885
US-20090203672-A1 Substituted Sulfonamide Compounds RPS4X, RPS4Y1, CACNA1A NR1H2 1264/4885ALDH1A1 1731/4885LMNA 727/4885

“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.