SCHEMBL14076537

SCHEMBL14076537

O=C1N/C(=N\c2ccc3c(c2)OCCO3)C(c2ccc3c(c2)OCCO3)N1c1ccc2[nH]cnc2c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 18/20 0.64
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
QPCTL Q9NXS2 1/20 0.37
STING1 Q86WV6 1/20 0.36

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
SCHEMBL5056712 1.00 QPCT (0.64) QPCTKDM4ENPC1USP2ALDH1A1
SCHEMBL5053617 0.97 QPCT (0.61) QPCTKDM4ENPC1USP2ALDH1A1
SCHEMBL14076619 0.97 QPCT (0.61) QPCTKDM4ENPC1USP2ALDH1A1
SCHEMBL5062215 0.93 QPCT (0.55) QPCTKDM4ENPC1USP2ALDH1A1
SCHEMBL14076689 0.93 QPCT (0.55) QPCTKDM4ENPC1USP2ALDH1A1
SCHEMBL3823896 0.93 QPCT (0.55) QPCTKDM4ENPC1USP2ALDH1A1
SCHEMBL5053507 0.89 QPCT (0.66) QPCTKDM4ENPC1USP2ALDH1A1
SCHEMBL14076362 0.89 QPCT (0.66) QPCTKDM4ENPC1USP2ALDH1A1
SCHEMBL466465 0.86 QPCT (0.85) QPCTQPCTL
SCHEMBL29410586 0.86 QPCT (0.85) QPCTQPCTL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091945-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2014-01-15 EP disclosed
US-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2008-09-11 US disclosed
US-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2008-09-11 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-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase GLS, GLS2, GLUL QPCT 9/4885KDM4E 3591/4885NPC1 2022/4885

“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.