SCHEMBL5842162

SCHEMBL5842162

O=C(O)CC(NCc1ccccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
CYP1A2 P05177 1/20 0.52
TSHR P16473 1/20 0.52
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP2C19 P33261 2/20 0.46
POLB P06746 1/20 0.46
KDM4A O75164 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
THRB P10828 1/20 0.44
PTPN1 P18031 1/20 0.44
CA12 O43570 1/20 0.44

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
SCHEMBL5842171 1.00 ALDH1A1 (0.53) ALDH1A1CYP1A2TSHRKMT2AMEN1
SCHEMBL30025474 0.87 ALDH1A1 (0.54) ALDH1A1TSHRKMT2AMEN1KDM4E
SCHEMBL756836 0.87 ALDH1A1 (0.54) ALDH1A1TSHRKMT2AMEN1KDM4E
SCHEMBL750948 0.87 ALDH1A1 (0.54) ALDH1A1TSHRKMT2AMEN1KDM4E
SCHEMBL750949 0.87 ALDH1A1 (0.54) ALDH1A1TSHRKMT2AMEN1KDM4E
SCHEMBL756835 0.87 ALDH1A1 (0.54) ALDH1A1TSHRKMT2AMEN1KDM4E
SCHEMBL29534084 0.87 ALDH1A1 (0.54) ALDH1A1TSHRKMT2AMEN1KDM4E
SCHEMBL4962448 0.87 ALDH1A1 (0.54) ALDH1A1TSHRKMT2AMEN1KDM4E
SCHEMBL28650285 0.86 ALDH1A1 (0.51) ALDH1A1CYP1A2TSHRKMT2AMEN1
SCHEMBL28650286 0.86 ALDH1A1 (0.51) ALDH1A1CYP1A2TSHRKMT2AMEN1

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-7074783-B2 Sulfonylbenzodiazepinone acetamides as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2006-07-11 US disclosed
EP-1549622-A1 SULFONYLBENZODIAZEPINONE ACETAMIDES AS BRADYKININ ANTAGONISTS Elian Pharmaceuticals Inc. (US) 2005-07-06 EP disclosed
US-20040138208-A1 Sulfonylbenzodiazepinone acetamides as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-15 US disclosed
WO-2004033436-A1 SULFONYLBENZODIAZEPINONE ACETAMIDES AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS INC (US) 2004-04-22 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-20040138208-A1 Sulfonylbenzodiazepinone acetamides as bradykinin antagonists BDKRB1, BDKRB2, HRH2 ALDH1A1 2559/4885CYP1A2 2604/4885TSHR 1846/4885

“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.