SCHEMBL26164169

SCHEMBL26164169

Cc1cccc2c3ccccc3c3cccc([N+](=O)[O-])c3[nH]c3ccccc3c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.58
MAPT P10636 4/20 0.55
NPC1 O15118 1/20 0.55
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KIF11 P52732 1/20 0.51
GABRP O00591 2/20 0.51
GABRD O14764 2/20 0.51
GABRA1 P14867 2/20 0.51
GABRB1 P18505 2/20 0.51
GABRG2 P18507 2/20 0.51
GABRB3 P28472 2/20 0.51
GABRA5 P31644 2/20 0.51
GABRA3 P34903 2/20 0.51
GABRA2 P47869 2/20 0.51
GABRB2 P47870 2/20 0.51
GABRA4 P48169 2/20 0.51
GABRE P78334 2/20 0.51
GABRA6 Q16445 2/20 0.51
GABRG1 Q8N1C3 2/20 0.51

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
SCHEMBL26164139 0.87 PARP1 (0.71) PARP1MAPTNPC1MAPK1L3MBTL1
SCHEMBL30455197 0.85 PARP1 (0.68) PARP1MAPTNPC1MAPK1L3MBTL1
SCHEMBL1135541 0.85 PARP1 (0.68) PARP1MAPTNPC1MAPK1L3MBTL1
SCHEMBL26164170 0.85 PARP1 (0.57) PARP1MAPTNPC1MAPK1L3MBTL1
SCHEMBL26167525 0.84 PARP1 (0.53) PARP1MAPTNPC1MAPK1L3MBTL1
SCHEMBL26164171 0.83 PARP1 (0.55) PARP1MAPTNPC1MAPK1L3MBTL1
SCHEMBL26164175 0.81 PARP1 (0.52) PARP1MAPTNPC1MAPK1L3MBTL1
SCHEMBL31174148 0.79 KIF11 (0.65) PARP1MAPTNPC1MAPK1KIF11
SCHEMBL7491879 0.78 PARP1 (0.62) PARP1MAPTNPC1MAPK1L3MBTL1
SCHEMBL29478497 0.77 MAPT (0.57) PARP1MAPTNPC1MAPK1L3MBTL1

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-20230167145-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-06-01 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-20230167145-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, OSBP PARP1 2010/4885MAPT 1004/4885NPC1 1538/4885

“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.