SCHEMBL5068646

SCHEMBL5068646

COc1ccc(SNC(=O)Nc2ccc3[nH]cnc3c2)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 11/20 0.52
POLB P06746 2/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MMP12 P39900 1/20 0.41
LMNA P02545 1/20 0.41
ROCK2 O75116 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL5060621 0.85 RAB9A (0.52) QPCTPOLBNPC1RAB9AKMT2A
SCHEMBL5060616 0.83 QPCT (0.50) QPCTPOLBNPC1RAB9AKMT2A
SCHEMBL16667022 0.82 QPCT (0.51) QPCTPOLBNPC1RAB9AKMT2A
SCHEMBL3634005 0.78 QPCT (0.81) QPCTPOLBNPC1RAB9AKMT2A
SCHEMBL3632425 0.74 QPCT (0.84) QPCTPOLBNPC1RAB9AMAPT
SCHEMBL5060652 0.73 QPCT (0.48) QPCTPOLBNPC1RAB9AKMT2A
SCHEMBL13373434 0.72 QPCT (0.53) QPCTPOLBNPC1RAB9AKMT2A
SCHEMBL31364144 0.72 QPCT (0.53) QPCTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3629554 0.72 QPCT (0.81) QPCTNPC1RAB9AKMT2AMAPT
SCHEMBL3633921 0.71 QPCT (0.85) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9656991-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2017-05-23 US disclosed
US-20080286231-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-11-20 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-20080286231-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE GLS, GLS2, QPCT QPCT 3/4885POLB 1626/4885NPC1 3047/4885

“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.