SCHEMBL4008336

SCHEMBL4008336

Cc1ccc(NC(=O)CN(C(=O)c2ccc(C)cc2)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.59
PKM P14618 1/20 0.52
ALDH1A1 P00352 2/20 0.51
ADRB2 P07550 1/20 0.51
POLB P06746 2/20 0.50
HTT P42858 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 2/20 0.47
TP53 P04637 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL4008681 0.97 HPGD (0.56) HPGDPKMALDH1A1ADRB2POLB
SCHEMBL4002284 0.94 HPGD (0.53) HPGDPKMALDH1A1ADRB2POLB
SCHEMBL4001873 0.83 RORC (0.48) HPGDPOLBHTTMAPTTP53
SCHEMBL12231020 0.83 TDP1 (0.55) HPGDALDH1A1ADRB2POLBHTT
SCHEMBL4001480 0.83 HPGD (0.55) HPGDALDH1A1POLBMAPTNPC1
SCHEMBL9153545 0.82 ALDH1A1 (0.49) ALDH1A1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL6569544 0.82 PKM (0.56) HPGDPKMALDH1A1NPC1RAB9A
SCHEMBL13102343 0.80 ALDH1A1 (0.58) ALDH1A1POLBMAPTNPC1RAB9A
SCHEMBL12231179 0.79 NPC1 (0.61) HPGDPKMMAPTNPC1RAB9A
SCHEMBL9809224 0.77 HPGD (0.66) HPGDPKMALDH1A1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069286-B1 INHIBITORS FOR GLYT-1 HOFFMANN LA ROCHE (CH) 2012-09-19 EP claimed
EP-2069286-A1 INHIBITORS FOR GLYT-1 F. Hoffmann-Roche AG (CH) 2009-06-17 EP claimed
US-20080058331-A1 Inhibitors for GlyT-1 HOFFMANN-LA ROCHE INC. 2008-03-06 US claimed
WO-2008025694-A1 INHIBITORS FOR GLYT-1 F. HOFFMANN-LA ROCHE AG (CH) 2008-03-06 WO claimed
EP-2069286-B1 INHIBITORS FOR GLYT-1 HOFFMANN LA ROCHE (CH) 2012-09-19 EP disclosed
US-7589089-B2 Inhibitors for GlyT-1 HOFFMANN-LA ROCHE INC. (US) 2009-09-15 US disclosed
US-7589089-B2 Inhibitors for GlyT-1 HOFFMANN-LA ROCHE INC. (US) 2009-09-15 US disclosed
CN-101506148-A Inhibitors for GLYT-1 HOFFMANN LA ROCHE (CH) 2009-08-12 CN disclosed
EP-2069286-A1 INHIBITORS FOR GLYT-1 F. Hoffmann-Roche AG (CH) 2009-06-17 EP disclosed
EP-2069286-A1 INHIBITORS FOR GLYT-1 F. Hoffmann-Roche AG (CH) 2009-06-17 EP disclosed
US-20080058331-A1 Inhibitors for GlyT-1 HOFFMANN-LA ROCHE INC. 2008-03-06 US disclosed
US-20080058331-A1 Inhibitors for GlyT-1 HOFFMANN-LA ROCHE INC. 2008-03-06 US disclosed
WO-2008025694-A1 INHIBITORS FOR GLYT-1 F. HOFFMANN-LA ROCHE AG (CH) 2008-03-06 WO disclosed
WO-2008025694-A1 INHIBITORS FOR GLYT-1 F. HOFFMANN-LA ROCHE AG (CH) 2008-03-06 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-20080058331-A1 Inhibitors for GlyT-1 GLRA1, SLC1A2, AGXT HPGD 3821/4885PKM 2191/4885ALDH1A1 867/4885

“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.