SCHEMBL2635529

SCHEMBL2635529

O=C(COc1cc(C(=O)O)cc2cc(Cl)cc(Cl)c12)NCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
LMNA P02545 4/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
ESR1 P03372 1/20 0.50
YWHAB P31946 1/20 0.50
PDK1 Q15118 1/20 0.50
HTT P42858 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 2/20 0.49
MAPT P10636 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 3/20 0.46
MAPK1 P28482 1/20 0.45

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
SCHEMBL2635486 0.91 LMNA (0.53) ALDH1A1LMNAL3MBTL1ESR1YWHAB
SCHEMBL2635556 0.89 RAB9A (0.59) ALDH1A1LMNAL3MBTL1HTTMAPT
SCHEMBL2635188 0.82 HTT (0.51) ALDH1A1LMNAL3MBTL1HTTMAPT
SCHEMBL2635701 0.82 MEN1 (0.60) ALDH1A1LMNAL3MBTL1HTTMAPT
SCHEMBL2635787 0.82 LMNA (0.49) ALDH1A1LMNAL3MBTL1HTTCYP1A2
SCHEMBL2635342 0.81 GPR34 (0.51) SMN1; SMN2MEN1KMT2APKM
SCHEMBL2636139 0.81 ALDH1A1 (0.63) ALDH1A1LMNAL3MBTL1HTTCYP1A2
SCHEMBL2635891 0.81 MRGPRX4 (0.45) ALDH1A1LMNAL3MBTL1HTTTP53
SCHEMBL2636158 0.81 MAPK1 (0.55) ALDH1A1LMNAHTTCYP1A2CYP3A4
SCHEMBL2635113 0.81 ANO1 (0.48) LMNAL3MBTL1HTTMEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220577-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA 2012-08-30 US claimed
EP-2438037-A1 GLYCINE B ANTAGONISTS Merz Pharma GmbH & Co. KGaA (DE) 2012-04-11 EP claimed
WO-2010139481-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2010-12-09 WO claimed
US-20120220577-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA 2012-08-30 US disclosed
EP-2438037-A1 GLYCINE B ANTAGONISTS Merz Pharma GmbH & Co. KGaA (DE) 2012-04-11 EP disclosed
WO-2010139481-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2010-12-09 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-20120220577-A1 GLYCINE B ANTAGONISTS GLRB, GRIN2B, GLRA2 ALDH1A1 3645/4885LMNA 1894/4885L3MBTL1 1436/4885

“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.