SCHEMBL2397400

SCHEMBL2397400

FC(F)(F)c1cccc(CC(c2nnc(-c3ccc4[nH]cnc4c3)o2)C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 13/20 0.46
GSK3B P49841 3/20 0.40
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
KDR P35968 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL2397900 0.79 QPCT (0.46) QPCTDRD4DRD3TMEM97SIGMAR1
SCHEMBL2394839 0.74 QPCT (0.51) QPCT
SCHEMBL2398225 0.72 QPCT (0.46) QPCT
SCHEMBL2395058 0.71 QPCT (0.84) QPCT
SCHEMBL2400136 0.71 QPCT (0.52) QPCT
SCHEMBL2395930 0.69 QPCT (0.52) QPCT
SCHEMBL2397934 0.68 QPCT (0.67) QPCT
SCHEMBL2397397 0.68 QPCT (0.85) QPCT
SCHEMBL2397607 0.67 QPCT (0.82) QPCT
SCHEMBL3034900 0.66 TEK (0.43) DRD4DRD3TMEM97SIGMAR1KDR

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 2 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-20110224259-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-15 US 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 1/4885GSK3B 1270/4885DRD4 4735/4885

“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.