SCHEMBL2635535

SCHEMBL2635535

CC(Br)C(=O)Nc1cccc(CO)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.54
PDK2 Q15119 1/20 0.54
PDK3 Q15120 1/20 0.54
PDK4 Q16654 1/20 0.54
KDM1A O60341 1/20 0.48
RCOR1 Q9UKL0 1/20 0.48
JAK3 P52333 1/20 0.46
NHERF1 O14745 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALOX12 P18054 1/20 0.45
MAPK1 P28482 1/20 0.45
TP53 P04637 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
SCHEMBL2635470 0.81 KMT2A (0.45) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL4820385 0.80 HSD17B10 (0.61) HSD17B10SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL4003494 0.80 HSD17B10 (0.61) HSD17B10SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL1548607 0.80 ALDH1A1 (0.59) PDK1PDK2PDK3PDK4TSHR
SCHEMBL14052664 0.79 PDK1 (0.58) PDK1PDK2PDK3PDK4NHERF1
SCHEMBL7433315 0.79 MEN1 (0.61) TSHRSMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL16738057 0.79 POLB (0.61) TSHRHSD17B10SMN1; SMN2MAPTALDH1A1
SCHEMBL25629321 0.78 PDK1 (0.45) PDK1PDK2PDK3PDK4KDM1A
SCHEMBL1028484 0.78 PDK1 (0.56) PDK1PDK2PDK3PDK4KDM1A
SCHEMBL6110283 0.77 SMN1; SMN2 (0.56) TSHRSMN1; SMN2LMNAMAPTALDH1A1

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 PDK1 3184/4885PDK2 1859/4885PDK3 2312/4885

“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.