SCHEMBL5131585

SCHEMBL5131585

O=c1c2ccccc2[nH]c(=S)n1CCCn1ccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 3/20 1.00
KMT2A Q03164 1/20 1.00
KDM4E B2RXH2 1/20 0.58
HSD17B10 Q99714 1/20 0.58
MPO P05164 3/20 0.58
XDH P47989 2/20 0.58
ALDH1A1 P00352 1/20 0.58
TSHR P16473 1/20 0.57

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
SCHEMBL10653074 0.88 KMT2A (0.78) QPCTKMT2A
SCHEMBL10750586 0.85 KMT2A (0.74) QPCTKMT2A
SCHEMBL10656330 0.84 KMT2A (0.73) QPCTKMT2A
SCHEMBL3639892 0.80 QPCT (1.00) QPCTKMT2AMPOXDHALDH1A1
SCHEMBL85957 0.79 IMPDH2 (0.74) QPCTKMT2AHSD17B10ALDH1A1
SCHEMBL5128690 0.78 QPCT (0.72) QPCTKMT2ATSHR
SCHEMBL3641679 0.77 QPCT (1.00) QPCTKMT2AMPOXDHALDH1A1
SCHEMBL7648079 0.77 ALDH1A1 (0.74) QPCTKMT2AKDM4EMPOXDH
SCHEMBL12713432 0.77 MPO (0.73) QPCTKMT2AKDM4EMPOXDH
SCHEMBL5126407 0.76 QPCT (0.73) QPCTKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080267911-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-10-30 US claimed
US-9034907-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-05-19 US disclosed
US-9034907-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-05-19 US disclosed
US-9034907-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-05-19 US disclosed
EP-2160389-B1 THIOXOQUINAZOLINONE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2014-03-12 EP disclosed
US-20080267911-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-10-30 US disclosed
US-20080267911-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-10-30 US disclosed
US-20080267911-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-10-30 US disclosed
WO-2008128982-A1 THIOXOQUINAZOLINONE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 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-20080267911-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE GLS, GLS2, QPCT QPCT 3/4885KMT2A 3055/4885KDM4E 1723/4885

“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.