SCHEMBL14076402

SCHEMBL14076402

O=C1CCCN1CCC/N=C1\NC(=S)N(c2ccc3[nH]cnc3c2)C1c1ccc(Br)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 15/20 0.36
▸ KMT2A Q03164 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ QPCTL Q9NXS2 2/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL14093777 1.00 QPCT (0.36) QPCTKMT2APOLBTDP1QPCTL
SCHEMBL14076448 0.95 QPCT (0.37) QPCTQPCTL
SCHEMBL14076571 0.88 QPCT (0.42) QPCTKMT2AKDM4EHPGDHSD17B10
SCHEMBL5058279 0.88 QPCT (0.42) QPCTKMT2AKDM4EHPGDHSD17B10
SCHEMBL5058281 0.88 QPCT (0.42) QPCTKMT2AKDM4EHPGDHSD17B10
SCHEMBL5062269 0.87 QPCT (0.37) QPCT
SCHEMBL5062272 0.87 QPCT (0.37) QPCT
SCHEMBL5062170 0.87 QPCT (0.47) QPCTQPCTL
SCHEMBL14076672 0.87 QPCT (0.47) QPCTQPCTL
SCHEMBL5058038 0.85 QPCT (0.39) QPCTKMT2AQPCTLKDM4EHPGD

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 4 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-8420684-B2 imidazole derivatives; Alzheimer's Disease, Down syndrome, Huntington's Disease; hypotensive agents; sleeping/eating disorders, anxiolytic agents, antidepressants, antiepileptic agents; drug abuse/withdrawl; 4-Cyclopropylimino-5-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-yl-propyl)-imidazolidin-2-one PROBIODRUG AG (DE) 2013-04-16 — — US disclosed
US-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2008-09-11 — — US disclosed
WO-2008055947-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-05-15 — — WO 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 9/4885KMT2A 3747/4885POLB 1791/4885

“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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