SCHEMBL4808376

SCHEMBL4808376

Cc1ccc(-n2cc(-c3ccccn3)nc2-c2ccc(Nc3ncccc3[N+](=O)[O-])cc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HRH3 Q9Y5N1 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36
FGFR3 P22607 1/20 0.36
GSK3B P49841 1/20 0.35
PIN1 Q13526 1/20 0.35
ABCG2 Q9UNQ0 2/20 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
SCHEMBL4878547 0.88 MAPT (0.42) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL4802006 0.87 MAPT (0.41) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL4858595 0.87 MAPT (0.41) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL4806097 0.87 MAPT (0.41) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL4806593 0.87 MAPT (0.41) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL4809576 0.87 ALDH1A1 (0.48) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL14194714 0.84 PDE10A (0.42) MAPTNPC1NFKB1NFKB2RELA
SCHEMBL14194755 0.77 L3MBTL1 (0.40) MAPTNPC1MAPK1MEN1KMT2A
SCHEMBL14194753 0.76 MAPK10 (0.35) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL4808161 0.76 PTGS1 (0.39) MAPTMAPK1KMT2AL3MBTL1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
WO-2008004117-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-01-10 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-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PDE5A, PDE3B, PDE12 MAPT 964/4885NPC1 1779/4885RAB9A 870/4885

“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.