SCHEMBL5064173

SCHEMBL5064173

O=C(NSC(Cc1ccccc1)c1ccccc1)Nc1ccc2[nH]cnc2c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 9/20 0.48
NAMPT P43490 2/20 0.47
ROCK2 O75116 4/20 0.43
ROCK1 Q13464 3/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
FPR2 P25090 1/20 0.39
NPC1 O15118 1/20 0.39
EPHX1 P07099 2/20 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
SCHEMBL5133989 0.89 QPCT (0.50) QPCTNAMPTROCK2RAB9ANPC1
SCHEMBL2995008 0.76 NAMPT (0.53) QPCTNAMPTROCK2ROCK1
SCHEMBL2995010 0.76 NAMPT (0.53) QPCTNAMPTROCK2ROCK1
SCHEMBL27548487 0.76 NPC1 (0.55) QPCTNAMPTROCK2ROCK1RAB9A
SCHEMBL13373422 0.74 NAMPT (0.81) QPCTNAMPTROCK2RAB9ATP53
SCHEMBL3634863 0.74 QPCT (0.84) QPCTNAMPTROCK1RAB9ANPC1
SCHEMBL26190497 0.73 ROCK2 (0.53) QPCTNAMPTROCK2ROCK1RAB9A
SCHEMBL9960184 0.72 NAMPT (0.62) QPCTNAMPTROCK2RAB9AMAPT
SCHEMBL13373434 0.72 QPCT (0.53) QPCTNAMPTRAB9ATP53MAPT
SCHEMBL5265934 0.70 NAMPT (0.51) QPCTNAMPTROCK2RAB9ATP53

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 1137/4885ROCK2 588/4885

“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.