SCHEMBL14076468

SCHEMBL14076468

O=C(C/N=C1/NC(=O)N(c2ccc3nc[nH]c3c2)C1c1cc2c(cc1Br)OCO2)N1CCSCC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 19/20 0.46
▸ QPCTL Q9NXS2 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL5053561 1.00 QPCT (0.46) QPCTQPCTLNPC1MAPTRAB9A
SCHEMBL16472530 0.90 QPCT (0.45) QPCTQPCTL
SCHEMBL5056594 0.87 QPCT (0.39) QPCTQPCTLNPC1MAPTRAB9A
SCHEMBL5056589 0.87 QPCT (0.39) QPCTQPCTLNPC1MAPTRAB9A
SCHEMBL14217706 0.84 QPCT (0.42) QPCTQPCTL
SCHEMBL5062202 0.84 QPCT (0.45) QPCTQPCTL
SCHEMBL14217788 0.84 QPCT (0.45) QPCTQPCTL
SCHEMBL14076657 0.80 QPCT (0.46) QPCTQPCTL
SCHEMBL5053692 0.80 QPCT (0.46) QPCTQPCTL
SCHEMBL5056691 0.79 QPCT (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 9/4885QPCTL 57/4885NPC1 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.

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