SCHEMBL3630974

SCHEMBL3630974

S=C(Nc1ccc2c(c1)OCO2)Nc1ccc2[nH]cnc2c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 8/20 0.82
ALDH1A1 P00352 6/20 0.65
MAPT P10636 5/20 0.65
GAA P10253 2/20 0.65
SMN1; SMN2 Q16637 4/20 0.60
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
EGFR P00533 2/20 0.54
TEK Q02763 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
NFKB1 P19838 1/20 0.47
CYP2C19 P33261 1/20 0.47
NFKB2 Q00653 1/20 0.47

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
SCHEMBL3633560 0.87 QPCT (0.85) QPCTALDH1A1MAPTGAASMN1; SMN2
SCHEMBL3628524 0.78 QPCT (0.80) QPCTNPC1RAB9A
SCHEMBL3630011 0.78 QPCT (0.80) QPCTALDH1A1MAPTGAASMN1; SMN2
SCHEMBL6814644 0.78 QPCT (0.59) QPCTMAPTNPC1RAB9AMEN1
SCHEMBL3630017 0.78 QPCT (0.80) QPCTALDH1A1MAPTMEN1KMT2A
SCHEMBL3634735 0.78 QPCT (0.80) QPCTALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL3667914 0.77 QPCT (0.58) QPCTGAANPC1RAB9ACYP1A2
SCHEMBL7643121 0.76 QPCT (0.58) QPCTNPC1RAB9A
SCHEMBL13373419 0.76 QPCT (0.50) QPCTALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL3633563 0.75 QPCT (0.85) QPCTALDH1A1MAPTGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9656991-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2017-05-23 US claimed
EP-2865670-B1 Thiourea derivatives as glutaminyl cyclase inhibitors PROBIODRUG AG (DE) 2017-01-11 EP claimed
EP-2865670-A1 Thiourea derivatives as glutaminyl cyclase inhibitors Probiodrug AG (DE) 2015-04-29 EP claimed
EP-2142514-A1 THIOUREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS Probiodrug AG (DE) 2010-01-13 EP claimed
US-20080286231-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-11-20 US claimed
WO-2008128985-A1 THIOUREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 WO claimed
US-9656991-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2017-05-23 US disclosed
US-9656991-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2017-05-23 US disclosed
US-9656991-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2017-05-23 US disclosed
EP-2865670-B1 Thiourea derivatives as glutaminyl cyclase inhibitors PROBIODRUG AG (DE) 2017-01-11 EP disclosed
EP-2865670-A1 Thiourea derivatives as glutaminyl cyclase inhibitors Probiodrug AG (DE) 2015-04-29 EP disclosed
EP-2142514-A1 THIOUREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS Probiodrug AG (DE) 2010-01-13 EP disclosed
US-20080286231-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-11-20 US disclosed
US-20080286231-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-11-20 US disclosed
US-20080286231-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-11-20 US disclosed
WO-2008128985-A1 THIOUREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 WO disclosed
WO-2008128985-A1 THIOUREA 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-20080286231-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE GLS, GLS2, QPCT QPCT 3/4885ALDH1A1 1847/4885MAPT 730/4885

“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.