SCHEMBL2636050

SCHEMBL2636050

O=C(CCl)NCc1cccc(CO)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
HTT P42858 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
PKM P14618 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPK1 P28482 1/20 0.48
AOC3 Q16853 2/20 0.46
HPGD P15428 1/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43
GAA P10253 1/20 0.43
PADI1 Q9ULC6 1/20 0.43
PADI3 Q9ULW8 1/20 0.43
PADI4 Q9UM07 1/20 0.43
PADI2 Q9Y2J8 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL4034877 0.83 ALDH1A1 (0.63) ALDH1A1HTTSMN1; SMN2HPGDNPC1
SCHEMBL4032122 0.81 ALDH1A1 (0.61) ALDH1A1HTTSMN1; SMN2MAPK1RAB9A
SCHEMBL20122670 0.81 ALDH1A1 (0.61) ALDH1A1HTTSMN1; SMN2PKMKDM4E
SCHEMBL3705128 0.81 ALDH1A1 (0.66) ALDH1A1HTTSMN1; SMN2KDM4EMAPK1
SCHEMBL31505825 0.81 ERCC1 (0.65) ALDH1A1PKMKDM4EAOC3HPGD
SCHEMBL26994693 0.81 ERCC1 (0.65) ALDH1A1PKMKDM4EAOC3HPGD
SCHEMBL26181254 0.81 ALDH1A1 (0.54) ALDH1A1HTTSMN1; SMN2PKMKDM4E
SCHEMBL3368486 0.80 TSHR (0.59) ALDH1A1SMN1; SMN2PKMKDM4EAOC3
SCHEMBL7162443 0.80 PKM (0.56) ALDH1A1HTTSMN1; SMN2PKMKDM4E
SCHEMBL2636120 0.80 GAA (0.66) ALDH1A1HTTSMN1; SMN2HPGDRAB9A

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-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 3645/4885HTT 106/4885SMN1; SMN2 508/4885

“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.