SCHEMBL2813683

SCHEMBL2813683

CC(C)(CCN)c1ccc([N+](=O)[O-])cc1Br

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 4/20 0.42
CYP3A4 P08684 3/20 0.42
POLB P06746 3/20 0.41
KAT2B Q92831 1/20 0.41
GAA P10253 2/20 0.39
HTT P42858 2/20 0.39
THRB P10828 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 2/20 0.38
LOXL2 Q9Y4K0 1/20 0.38

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
SCHEMBL2816302 0.81 ALDH1A1 (0.46) ALDH1A1TDP1POLBGAAL3MBTL1
SCHEMBL2820413 0.80 CYP3A4 (0.44) ALDH1A1TDP1CYP3A4POLBGAA
SCHEMBL395055 0.79 SMN1; SMN2 (0.50) ALDH1A1TDP1CYP3A4POLBGAA
SCHEMBL30279254 0.79 SMN1; SMN2 (0.50) ALDH1A1TDP1CYP3A4POLBGAA
SCHEMBL1684443 0.76 POLB (0.42) ALDH1A1TDP1CYP3A4POLBGAA
SCHEMBL2813687 0.74 LOXL2 (0.48) ALDH1A1POLBKAT2BGAAHTT
SCHEMBL18053615 0.73 POLB (0.47) ALDH1A1TDP1CYP3A4POLBGAA
SCHEMBL2814724 0.73 ALDH1A1 (0.41) ALDH1A1TDP1CYP3A4POLBGAA
SCHEMBL2815063 0.73 ALDH1A1 (0.45) ALDH1A1TDP1CYP3A4POLBKAT2B
SCHEMBL2013672 0.73 GAA (0.43) ALDH1A1TDP1CYP3A4POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2010-09-30 US disclosed
EP-2134676-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE Addex Pharma SA (CH) 2009-12-23 EP disclosed
WO-2008117175-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2008-10-02 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-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE FSHR, GNRHR, SHBG ALDH1A1 1769/4885TDP1 4258/4885CYP3A4 913/4885

“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.