SCHEMBL2817699

SCHEMBL2817699

Cc1cc(C(C)(C)C#N)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.45
TDP1 Q9NUW8 6/20 0.45
ALDH1A1 P00352 4/20 0.45
TSHR P16473 3/20 0.45
ESR1 P03372 3/20 0.43
AR P10275 1/20 0.43
ESR2 Q92731 1/20 0.43
MAPK1 P28482 2/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
SCN10A Q9Y5Y9 1/20 0.38
S100B P04271 1/20 0.36
SKP2 Q13309 1/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
BRAF P15056 2/20 0.34
POLB P06746 1/20 0.34
RECQL P46063 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL9281964 0.86 ALDH1A1 (0.39) CYP3A4TDP1ALDH1A1TSHRESR1
SCHEMBL10398284 0.83 CYP3A4 (0.48) CYP3A4TDP1ALDH1A1TSHRESR1
SCHEMBL10227953 0.81 SCN10A (0.38) ALDH1A1ESR1SCN10ABRAFGRM1
SCHEMBL2815460 0.81 TSHR (0.42) CYP3A4ALDH1A1TSHRARESR2
SCHEMBL195478 0.80 CHRNA1 (0.38) CYP3A4ALDH1A1ESR1ESR2SCN10A
SCHEMBL30558289 0.78 BRAF (0.35) CYP3A4TDP1ALDH1A1TSHRESR1
SCHEMBL31363414 0.78 ALDH1A1 (0.48) CYP3A4TDP1ALDH1A1TSHRSCN10A
SCHEMBL2817207 0.78 ALDH1A1 (0.48) CYP3A4TDP1ALDH1A1TSHRSCN10A
SCHEMBL12866834 0.78 SCN10A (0.36) ESR1ESR2SCN10APIK3CAMTOR
SCHEMBL22726812 0.77 SCN10A (0.37) TDP1ALDH1A1ESR2SCN10APIK3CA

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 CYP3A4 913/4885TDP1 4258/4885ALDH1A1 1769/4885

“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.