SCHEMBL2815063

SCHEMBL2815063

CC(C)(CN)c1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
HIF1A Q16665 1/20 0.45
HTT P42858 2/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 4/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.40
KAT2B Q92831 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
PDE7A Q13946 1/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
S1PR4 O95977 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL17726403 0.84 ALDH1A1 (0.46) ALDH1A1HIF1AHTTGAATHRB
SCHEMBL17726323 0.82 ALDH1A1 (0.42) ALDH1A1HIF1AHTTGAATHRB
SCHEMBL2031510 0.82 ALDH1A1 (0.52) ALDH1A1HIF1AHTTGAATHRB
SCHEMBL2817984 0.81 HSD17B10 (0.51) ALDH1A1TDP1CYP3A4PDE7AKMT2A
SCHEMBL2816593 0.81 HSD17B10 (0.51) ALDH1A1TDP1CYP3A4PDE7AKMT2A
SCHEMBL28350522 0.80 ALDH1A1 (0.50) ALDH1A1HIF1AHTTGAATHRB
SCHEMBL27797067 0.79 ALDH1A1 (0.49) ALDH1A1HIF1AHTTGAATHRB
SCHEMBL15617382 0.79 ALDH1A1 (0.40) ALDH1A1HIF1AHTTGAATHRB
SCHEMBL29739672 0.78 ALDH1A1 (0.46) ALDH1A1HIF1AHTTGAATHRB
SCHEMBL12983221 0.78 ALDH1A1 (0.46) ALDH1A1HIF1AHTTGAATHRB

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 1769/4885HIF1A 2186/4885HTT 1744/4885

“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.