SCHEMBL2395925

SCHEMBL2395925

Clc1ccc(CCc2nnc(-c3ccc4[nH]cnc4c3)o2)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 15/20 0.57
QPCTL Q9NXS2 1/20 0.52
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL2396023 0.81 QPCT (0.84) QPCTQPCTL
SCHEMBL2394836 0.80 QPCT (0.59) QPCTQPCTL
SCHEMBL2397607 0.79 QPCT (0.82) QPCTQPCTL
SCHEMBL2397644 0.78 QPCT (0.85) QPCTQPCTLTSHR
SCHEMBL2397750 0.77 QPCTL (0.85) QPCTQPCTLSMN1; SMN2LMNATSHR
SCHEMBL2397397 0.76 QPCT (0.85) QPCTQPCTL
SCHEMBL2397537 0.76 QPCTL (0.57) QPCTQPCTL
SCHEMBL2413629 0.75 QPCT (0.85) QPCTQPCTLNPC1RAB9ASMN1; SMN2
SCHEMBL2398221 0.75 QPCT (0.85) QPCTQPCTLSMN1; SMN2
SCHEMBL2397493 0.75 QPCT (0.61) QPCTQPCTL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181233-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-11-10 US disclosed
US-9181233-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-11-10 US disclosed
US-9181233-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-11-10 US disclosed
US-20110224259-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-15 US disclosed
US-20110224259-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-15 US disclosed
US-20110224259-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-15 US disclosed
WO-2011107530-A2 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-09 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-20110224259-A1 NOVEL INHIBITORS QPCT, GLUL, GLS QPCT 1/4885QPCTL 5/4885NPC1 4581/4885

“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.