SCHEMBL2815583

SCHEMBL2815583

Cc1cc(N)ccc1C(C)(C)C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
PDE10A Q9Y233 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CASP1 P29466 3/20 0.39
TSHR P16473 3/20 0.36
CYP3A4 P08684 3/20 0.36
KDM4E B2RXH2 4/20 0.36
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
THRB P10828 2/20 0.36
LMNA P02545 2/20 0.36
ALOX15 P16050 1/20 0.36
USP2 O75604 1/20 0.34
GAA P10253 2/20 0.33
NR4A1 P22736 1/20 0.33
PTK2B Q14289 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CYP2A6 P11509 1/20 0.32
KEAP1 Q14145 1/20 0.32

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
SCHEMBL22165426 0.85 ALDH1A1 (0.45) ALDH1A1PDE10AL3MBTL1CASP1TSHR
SCHEMBL12866834 0.80 SCN10A (0.36)
SCHEMBL2814720 0.79 KIF11 (0.41) ALDH1A1TSHRKDM4EUSP2GAA
SCHEMBL2816595 0.79 ALDH1A1 (0.33) ALDH1A1TSHRKDM4EMAPTMEN1
SCHEMBL2816728 0.79 KDM4E (0.49) ALDH1A1TSHRCYP3A4KDM4EMAPT
SCHEMBL2819804 0.79 CYP3A4 (0.44) ALDH1A1CASP1TSHRCYP3A4KDM4E
SCHEMBL2814890 0.78 GAA (0.50) ALDH1A1CASP1TSHRKDM4EMEN1
SCHEMBL3947655 0.78 TAAR1 (0.40) ALDH1A1TSHRKDM4EMAPTLMNA
SCHEMBL14803471 0.77 ALDH1A1 (0.54) ALDH1A1PDE10AL3MBTL1CASP1TSHR
SCHEMBL3006494 0.77 ALDH1A1 (0.54) ALDH1A1PDE10AL3MBTL1CASP1TSHR

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 1769/4885PDE10A 640/4885L3MBTL1 3606/4885

“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.