SCHEMBL884150

SCHEMBL884150

O=C(c1[nH]c(=O)n(-c2ccccc2[N+](=O)[O-])c1-c1ccccc1)N1CCNCC1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA4 P22748 2/20 0.47
CA9 Q16790 2/20 0.47
REN P00797 2/20 0.42
DPP4 P27487 4/20 0.39
HTT P42858 3/20 0.38
DPP7 Q9UHL4 2/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
CYP3A4 P08684 1/20 0.37
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 3/20 0.37
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL884151 1.00 CA1 (0.47) CA1CA2CA4CA9REN
SCHEMBL2062976 0.87 CA1 (0.47) CA1CA2CA4CA9REN
SCHEMBL2062979 0.87 CA1 (0.47) CA1CA2CA4CA9REN
SCHEMBL2063245 0.85 REN (0.53) CA1CA2CA4CA9REN
SCHEMBL2063247 0.85 REN (0.53) CA1CA2CA4CA9REN
SCHEMBL10224694 0.85 CA1 (0.46) CA1CA2CA4CA9REN
SCHEMBL8171604 0.85 CA1 (0.46) CA1CA2CA4CA9REN
SCHEMBL2064435 0.84 CA1 (0.45) CA1CA2CA4CA9REN
SCHEMBL2064434 0.84 CA1 (0.45) CA1CA2CA4CA9REN
SCHEMBL885405 0.83 CA1 (0.44) CA1CA2CA4CA9REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US claimed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US claimed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 WO claimed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 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-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT CA1 1965/4885CA2 361/4885CA4 514/4885

“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.