SCHEMBL2397650

SCHEMBL2397650

COc1ccc(CC(OC)c2nnc(-c3ccc4[nH]cnc4c3)o2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 13/20 0.45
QPCTL Q9NXS2 3/20 0.43
HDAC6 Q9UBN7 1/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MMP12 P39900 1/20 0.38

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
SCHEMBL2398225 0.89 QPCT (0.46) QPCTQPCTLKDM4ETSHR
SCHEMBL2399874 0.79 QPCTL (0.46) QPCTQPCTLKDM4EALDH1A1HPGD
SCHEMBL2394839 0.76 QPCT (0.51) QPCT
SCHEMBL2400136 0.75 QPCT (0.52) QPCT
SCHEMBL2395930 0.75 QPCT (0.52) QPCTQPCTL
SCHEMBL28292532 0.72 MMP12 (0.60) QPCTQPCTLKDM4EALDH1A1HPGD
SCHEMBL2397644 0.70 QPCT (0.85) QPCTQPCTLKDM4EALDH1A1MAPT
SCHEMBL2397450 0.69 QPCT (0.85) QPCTQPCTLKDM4EALDH1A1MAPT
SCHEMBL1608484 0.69 MAPT (0.56) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL2394648 0.69 QPCTL (0.84) QPCTQPCTLMAPT

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 2 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-20110224259-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-15 US 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 1/4885QPCTL 5/4885HDAC6 2588/4885

“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.