SCHEMBL4432644

SCHEMBL4432644

[CH2]C[N+]1(c2ccccc2)CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
PABPC1 P11940 1/20 0.33
APOBEC3A P31941 1/20 0.33
EIF4H Q15056 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL14992324 0.89 CYP1A2 (0.38) CYP1A2CYP2C9
SCHEMBL14508525 0.78 CHRM2 (0.37) CYP1A2CYP2C9PABPC1APOBEC3AEIF4H
SCHEMBL5944519 0.78 CHRNA7 (0.37) CYP1A2CYP2C9PABPC1APOBEC3AEIF4H
SCHEMBL10110910 0.77 HIF1A (0.38) CYP1A2CYP2C9PABPC1APOBEC3AEIF4H
Iodide SCHEMBL11574865 0.77 APOBEC3A (0.40) CYP1A2CYP2C9PABPC1APOBEC3AEIF4H
SCHEMBL14508521 0.77 HIF1A (0.38) CYP1A2CYP2C9PABPC1APOBEC3AEIF4H
SCHEMBL5298667 0.76 CHRNA7 (0.38) CYP1A2CYP2C9PABPC1APOBEC3AEIF4H
SCHEMBL5944444 0.75 NPC1 (0.42) CYP1A2CYP2C9PABPC1APOBEC3AEIF4H
Iodide SCHEMBL11575949 0.74 CHRNA7 (0.37) CYP1A2CYP2C9PABPC1APOBEC3AEIF4H
SCHEMBL1618360 0.74 PABPC1 (0.38) CYP1A2CYP2C9PABPC1APOBEC3AEIF4H

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-7635775-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2009-12-22 US disclosed
US-20060293332-A1 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2006-12-28 US disclosed
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 (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-20060293332-A1 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK CYP1A2 3742/4885CYP2C9 2971/4885PABPC1 3951/4885
US-20040138208-A1 Sulfonylbenzodiazepinone acetamides as bradykinin antagonists BDKRB1, BDKRB2, HRH2 CYP1A2 2604/4885CYP2C9 2384/4885PABPC1 2583/4885

“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.