SCHEMBL2814766

SCHEMBL2814766

CC(=O)NNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.46
ALDH1A1 P00352 5/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 2/20 0.43
CYP3A4 P08684 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 2/20 0.42
GLA P06280 1/20 0.41
HSD11B1 P28845 1/20 0.41
CYP1A2 P05177 2/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL5674575 0.82 ALDH1A1 (0.49) MAPK1ALDH1A1POLBKMT2AMEN1
SCHEMBL27796885 0.81 ALDH1A1 (0.48) MAPK1ALDH1A1POLBKMT2AMEN1
SCHEMBL1647740 0.80 MAPK1 (0.55) MAPK1ALDH1A1POLBKMT2AMEN1
SCHEMBL17055301 0.78 POLB (0.54) MAPK1ALDH1A1POLBKMT2AMEN1
SCHEMBL222685 0.77 MEN1 (0.70) MAPK1ALDH1A1POLBKMT2AMEN1
SCHEMBL1646651 0.76 TDP1 (0.52) MAPK1ALDH1A1POLBKMT2AMEN1
SCHEMBL429356 0.76 ALDH1A1 (0.65) MAPK1ALDH1A1POLBKMT2AMEN1
SCHEMBL2817102 0.76 MAPK1 (0.50) MAPK1ALDH1A1POLBKMT2AMEN1
SCHEMBL2814601 0.75 MAPT (0.55) MAPK1ALDH1A1POLBKMT2AMAPT
SCHEMBL27030782 0.75 ALDH1A1 (0.53) MAPK1ALDH1A1POLBKMT2AMEN1

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 MAPK1 2373/4885ALDH1A1 1769/4885POLB 3820/4885

“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.