SCHEMBL14076450

SCHEMBL14076450

O=C(C/C=C1\NC(=S)N(c2ccc3nc[nH]c3c2)C1c1cc(Br)cs1)N1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 18/20 0.40
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ GPR183 P32249 1/20 0.33
▸ QPCTL Q9NXS2 1/20 0.33

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
SCHEMBL5056689 0.86 QPCT (0.40) QPCTALDH1A1HPGDQPCTL
SCHEMBL5056694 0.86 QPCT (0.40) QPCTALDH1A1HPGDQPCTL
SCHEMBL5056772 0.74 KDM4E (0.45) QPCTALDH1A1
SCHEMBL5056771 0.74 KDM4E (0.45) QPCTALDH1A1
SCHEMBL5053494 0.73 QPCT (0.35) QPCTQPCTL
SCHEMBL14076351 0.73 QPCT (0.35) QPCTQPCTL
SCHEMBL14076441 0.71 QPCT (0.41) QPCTQPCTL
SCHEMBL5053524 0.68 QPCT (0.34) QPCT
SCHEMBL5053522 0.68 QPCT (0.34) QPCT
SCHEMBL5063881 0.68 QPCT (0.43) QPCTALDH1A1HPGD

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 9/4885ALDH1A1 1395/4885HPGD 811/4885

“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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