SCHEMBL2814724

SCHEMBL2814724

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
TDP1 Q9NUW8 3/20 0.41
CYP3A4 P08684 3/20 0.41
VCAM1 P19320 2/20 0.41
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
GALR3 O60755 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
BCL6 P41182 1/20 0.36
BCOR Q6W2J9 1/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36
HSD17B10 Q99714 2/20 0.36

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
SCHEMBL7762897 0.88 ALDH1A1 (0.41) ALDH1A1TDP1CYP3A4VCAM1TSHR
SCHEMBL2815590 0.83 ALDH1A1 (0.53) ALDH1A1TDP1CYP3A4VCAM1TSHR
SCHEMBL395055 0.82 SMN1; SMN2 (0.50) ALDH1A1TDP1CYP3A4TSHRSMN1; SMN2
SCHEMBL30279254 0.82 SMN1; SMN2 (0.50) ALDH1A1TDP1CYP3A4TSHRSMN1; SMN2
SCHEMBL2815627 0.81 HSD17B10 (0.51) ALDH1A1TDP1VCAM1TSHRSMN1; SMN2
SCHEMBL2816811 0.81 ALDH1A1 (0.45) ALDH1A1TDP1CYP3A4VCAM1TSHR
SCHEMBL2814868 0.80 PDE7A (0.44) ALDH1A1TDP1VCAM1TSHRSMN1; SMN2
SCHEMBL22165266 0.79 ALDH1A1 (0.53) ALDH1A1TDP1CYP3A4VCAM1TSHR
SCHEMBL2815081 0.79 HTT (0.54) ALDH1A1TDP1SMN1; SMN2L3MBTL1GAA
SCHEMBL2816057 0.78 VCAM1 (0.55) ALDH1A1TDP1VCAM1TSHRSMN1; SMN2

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 4 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
CN-101679215-A New benzamide derivatives as the follicle stimulating hormone conditioning agent ADDEX PHARMA SA 2010-03-24 CN 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.