SCHEMBL3228868

SCHEMBL3228868

c1cc(-c2ccc3c(c2)OCCO3)c2cncn2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.52
QPCTL Q9NXS2 1/20 0.52
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
PKM P14618 2/20 0.46
CD274 Q9NZQ7 6/20 0.41
PDCD1 Q15116 5/20 0.41
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL3229805 0.92 QPCT (0.52) QPCTQPCTLNPC1RAB9AMAPT
SCHEMBL12698834 0.84 QPCT (0.47) QPCTQPCTLCYP11B1CYP11B2NPC1
SCHEMBL3260750 0.73 QPCT (0.67) QPCTQPCTLCYP11B1CYP11B2
SCHEMBL3215934 0.72 QPCT (0.66) QPCTQPCTLCYP11B1CYP11B2NPC1
SCHEMBL3231053 0.72 QPCT (0.66) QPCTQPCTLCYP11B2NPC1RAB9A
SCHEMBL3229481 0.71 QPCT (0.54) QPCTQPCTLCYP11B1CYP11B2MAPK1
SCHEMBL3206162 0.71 QPCT (0.68) QPCTQPCTLNPC1RAB9AMAPT
SCHEMBL5875817 0.70 QPCT (0.55) QPCTQPCTLCYP11B1CYP11B2MAPT
SCHEMBL3220223 0.69 QPCT (0.65) QPCTQPCTLNPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL6267698 0.69 QPCT (0.54) QPCTQPCTLCYP11B1CYP11B2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118101-B1 IMIDAZO [1,5-A] PYRIDINE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2012-09-26 EP claimed
US-7803810-B2 Inhibitors PROBIODRUG AG (DE) 2010-09-28 US claimed
EP-2118101-A1 IMIDAZO [1,5-A] PYRIDINE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2009-11-18 EP claimed
US-20080234313-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2008-09-25 US claimed
WO-2008110523-A1 IMIDAZO [1,5-A] PYRIDINE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-09-18 WO claimed
EP-2118101-B1 IMIDAZO [1,5-A] PYRIDINE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2012-09-26 EP disclosed
US-7803810-B2 Inhibitors PROBIODRUG AG (DE) 2010-09-28 US disclosed
US-7803810-B2 Inhibitors PROBIODRUG AG (DE) 2010-09-28 US disclosed
US-7803810-B2 Inhibitors PROBIODRUG AG (DE) 2010-09-28 US disclosed
US-20080234313-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2008-09-25 US disclosed
US-20080234313-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2008-09-25 US disclosed
US-20080234313-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2008-09-25 US disclosed
WO-2008110523-A1 IMIDAZO [1,5-A] PYRIDINE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-09-18 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-20080234313-A1 NOVEL INHIBITORS SF3A1, HBS1L, SF3A3 QPCT 4475/4885QPCTL 4381/4885CYP11B1 27/4885

“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.