SCHEMBL12017402

SCHEMBL12017402

CNc1ccccc1OCc1nnn[nH]1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.49
BRD4 O60885 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
MAPT P10636 4/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 3/20 0.32
ALDH1A1 P00352 3/20 0.32
ALOX15 P16050 2/20 0.32
MAPK1 P28482 2/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK10 P53779 1/20 0.31

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
SCHEMBL12017474 0.87 APP (0.37) APPMAPTKMT2AMEN1CYP1A2
SCHEMBL3338194 0.86 APP (0.40) APPSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL2021856 0.83 AURKA (0.36) APPBRD4SMN1; SMN2MAPTNPC1
SCHEMBL12017485 0.80 MCL1 (0.52) GAAALDH1A1HTT
SCHEMBL12017477 0.75 AR (0.46) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL12987122 0.75 HTT (0.35) SMN1; SMN2MAPTHTT
SCHEMBL12015680 0.73 APP (0.46) APP
SCHEMBL1243217 0.73 RAB9A (0.47) APPSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL12987482 0.72 MEN1 (0.35) APPMAPTKMT2AMEN1ALDH1A1
SCHEMBL8158080 0.71 APP (0.75) APPBRD4MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220577-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA 2012-08-30 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-20120220577-A1 GLYCINE B ANTAGONISTS GLRB, GRIN2B, GLRA2 APP 128/4885BRD4 1560/4885SMN1; SMN2 508/4885

“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.