SCHEMBL2397470

SCHEMBL2397470

c1ccc(OCc2nnc(-c3ccc4[nH]cnc4c3)o2)cc1

nearest known ligand 0.83

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 10/20 0.83
POLB P06746 4/20 0.61
ALDH1A1 P00352 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
MAPT P10636 2/20 0.52
TP53 P04637 2/20 0.52
HPGD P15428 3/20 0.49
HSD17B10 Q99714 3/20 0.49
KDM4E B2RXH2 2/20 0.49
TSHR P16473 2/20 0.49
MAPK1 P28482 2/20 0.49
THRB P10828 1/20 0.49
PKM P14618 1/20 0.49
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 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
SCHEMBL2397934 0.84 QPCT (0.67) QPCTSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL2398830 0.82 QPCT (0.83) QPCTHPGD
SCHEMBL2397607 0.82 QPCT (0.82) QPCT
SCHEMBL2396524 0.78 QPCT (0.84) QPCTNPC1RAB9AMEN1KMT2A
SCHEMBL12506913 0.77 QPCT (0.59) QPCTPOLBALDH1A1SMN1; SMN2NPC1
SCHEMBL2394836 0.76 QPCT (0.59) QPCT
SCHEMBL13373358 0.75 IP6K1 (0.56) QPCTPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL2395047 0.74 QPCT (0.67) QPCT
SCHEMBL2396014 0.74 QPCTL (0.57) QPCT
SCHEMBL1706112 0.73 QPCT (0.83) QPCT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181233-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-11-10 US disclosed
US-9181233-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-11-10 US disclosed
US-9181233-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-11-10 US disclosed
US-20110224259-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-15 US disclosed
US-20110224259-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-15 US disclosed
US-20110224259-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-15 US disclosed
WO-2011107530-A2 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-09 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-20110224259-A1 NOVEL INHIBITORS QPCT, GLUL, GLS QPCT 1/4885POLB 1661/4885ALDH1A1 3516/4885

“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.