SCHEMBL2814624

SCHEMBL2814624

COCCn1cc(C=O)c2cc(F)ccc21

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
KDM4E B2RXH2 1/20 0.61
TDP1 Q9NUW8 2/20 0.52
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 2/20 0.48
MAPT P10636 2/20 0.48
RAB9A P51151 2/20 0.48
GSK3B P49841 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 3/20 0.45
HTT P42858 3/20 0.45
BCHE P06276 3/20 0.43
HPGD P15428 1/20 0.43
AR P10275 1/20 0.41
ACHE P22303 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
SCHEMBL8241203 0.92 ALDH1A1 (0.58) ALDH1A1KDM4ETDP1POLBL3MBTL1
SCHEMBL8238735 0.85 ALDH1A1 (0.66) ALDH1A1KDM4ETDP1POLBNPC1
SCHEMBL8247540 0.82 ALDH1A1 (0.55) ALDH1A1KDM4ETDP1POLBL3MBTL1
SCHEMBL1093920 0.81 ALDH1A1 (0.65) ALDH1A1KDM4ETDP1SMN1; SMN2LMNA
SCHEMBL13537207 0.81 POLB (0.46) ALDH1A1TDP1POLBL3MBTL1NPC1
SCHEMBL1518274 0.80 POLB (0.71) ALDH1A1TDP1POLBL3MBTL1NPC1
SCHEMBL4602725 0.80 GSK3B (0.47) ALDH1A1KDM4EGSK3B
SCHEMBL3353763 0.80 ALDH1A1 (0.52) ALDH1A1TDP1POLBL3MBTL1NPC1
SCHEMBL4602721 0.79 GSK3B (0.47) ALDH1A1KDM4EGSK3B
SCHEMBL13132155 0.78 NPC1 (0.54) ALDH1A1TDP1POLBL3MBTL1NPC1

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 1769/4885KDM4E 1395/4885TDP1 4258/4885

“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.