SCHEMBL2636652

SCHEMBL2636652

O=C(CCl)Nc1cccc(CO)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.61
ALDH1A1 P00352 6/20 0.56
HTT P42858 5/20 0.56
MITF O75030 5/20 0.56
MAPK1 P28482 3/20 0.56
POLB P06746 1/20 0.56
PDK1 Q15118 1/20 0.52
PDK2 Q15119 1/20 0.52
PDK3 Q15120 1/20 0.52
PDK4 Q16654 1/20 0.52
MAPT P10636 4/20 0.50
GAA P10253 1/20 0.50
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 3/20 0.49
NHERF1 O14745 2/20 0.48
CNR2 P34972 1/20 0.48
LMNA P02545 3/20 0.48
NOD2 Q9HC29 2/20 0.48
ALOX12 P18054 1/20 0.47

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
SCHEMBL11802189 0.85 ALDH1A1 (0.67) NPSR1ALDH1A1HTTMITFMAPK1
SCHEMBL4003071 0.85 MAPT (0.66) NPSR1ALDH1A1HTTMITFMAPK1
SCHEMBL28041453 0.85 NPSR1 (0.59) NPSR1ALDH1A1HTTMITFMAPK1
SCHEMBL4007324 0.83 NPSR1 (0.66) NPSR1ALDH1A1HTTMITFMAPK1
SCHEMBL7934476 0.83 MAPT (0.56) ALDH1A1MAPK1POLBPDK1PDK2
SCHEMBL14052664 0.82 PDK1 (0.58) ALDH1A1HTTMAPK1POLBPDK1
SCHEMBL31505906 0.81 EPHX2 (0.71) NPSR1ALDH1A1HTTMAPK1POLB
SCHEMBL26994660 0.81 EPHX2 (0.71) NPSR1ALDH1A1HTTMAPK1POLB
SCHEMBL15828751 0.81 MEN1 (0.55) ALDH1A1MAPK1POLBPDK1PDK2
SCHEMBL6688407 0.81 KMT2A (0.55) ALDH1A1HTTPDK1PDK2PDK3

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 NPSR1 136/4885ALDH1A1 3645/4885HTT 106/4885

“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.