SCHEMBL5133989

SCHEMBL5133989

CC[C@H](SNC(=O)Nc1ccc2[nH]cnc2c1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 10/20 0.50
NAMPT P43490 2/20 0.43
EPHX1 P07099 2/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ROCK2 O75116 1/20 0.39
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
KHK P50053 1/20 0.37

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
SCHEMBL5064173 0.89 QPCT (0.48) QPCTNAMPTEPHX1NPC1RAB9A
SCHEMBL27548487 0.77 NPC1 (0.55) QPCTNAMPTEPHX1NPC1RAB9A
SCHEMBL13373434 0.75 QPCT (0.53) QPCTNAMPTEPHX1NPC1RAB9A
SCHEMBL3635986 0.75 QPCT (0.84) QPCTNPC1RAB9A
SCHEMBL3632643 0.75 QPCT (0.84) QPCTNPC1RAB9A
SCHEMBL13373368 0.72 QPCT (0.50) QPCTNAMPTEPHX1NPC1RAB9A
SCHEMBL3633558 0.71 QPCT (0.83) QPCTNPC1RAB9APOLB
SCHEMBL5265934 0.71 NAMPT (0.51) QPCTNAMPTEPHX1NPC1RAB9A
SCHEMBL13373496 0.71 RAB9A (0.62) NAMPTNPC1RAB9APOLB
SCHEMBL13373422 0.70 NAMPT (0.81) QPCTNAMPTNPC1RAB9AROCK2

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 3/4885NAMPT 1137/4885EPHX1 3366/4885

“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.