SCHEMBL4429852

SCHEMBL4429852

[O-][N+]1=Cc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.42
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
TSHR P16473 1/20 0.31
PARP1 P09874 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
SCHEMBL31337867 0.77 MAOB (0.59) MAOBBCHEACHETSHR
SCHEMBL265188 0.77 MAOB (0.59) MAOBBCHEACHETSHR
SCHEMBL11007003 0.74 PARP1 (0.34) PARP1
SCHEMBL12473302 0.70 CES1 (0.32) MAOBBCHEACHE
SCHEMBL9581005 0.67 TRPA1 (0.38) MAOB
SCHEMBL4049275 0.67 TSHR (0.36) TSHR
SCHEMBL7867026 0.66 MAOB (0.37) MAOBBCHEACHE
SCHEMBL1232463 0.64 MAOB (0.40) MAOBBCHEACHE
SCHEMBL4439955 0.62 MAOB (0.33) MAOBTSHRPARP1
SCHEMBL9016008 0.60 SLC22A2 (0.39) MAOBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012485-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-01-10 US disclosed
EP-2124913-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
US-7524590-B2 Methods for storing holographic data and articles having enhanced data storage lifetime derived therefrom GENERAL ELECTRIC COMPANY (US) 2009-04-28 US disclosed
WO-2008077597-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS NOVARTIS AG (CH) 2008-07-03 WO disclosed
US-20070127329-A1 Methods for storing holographic data and articles having enhanced data storage lifetime derived therefrom GENERAL ELECTRIC COMPANY (US) 2007-06-07 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 (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-20130012485-A1 ORGANIC COMPOUNDS DPP4, DPP3, DPP7 MAOB 254/4885BCHE 124/4885ACHE 84/4885

“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.