SCHEMBL2298153

SCHEMBL2298153

COc1ccc([N+](=O)[O-])c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.69
ALDH1A1 P00352 6/20 0.69
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
TDP1 Q9NUW8 3/20 0.69
KDM4E B2RXH2 3/20 0.69
USP2 O75604 2/20 0.69
DUSP3 P51452 1/20 0.69
POLB P06746 3/20 0.60
APEX1 P27695 1/20 0.60
CASP6 P55212 1/20 0.60
RAB9A P51151 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
MAPK1 P28482 4/20 0.58
NPSR1 Q6W5P4 2/20 0.58
FGB P02675 1/20 0.58
THRB P10828 1/20 0.58
ADORA2A P29274 1/20 0.58
PPARG P37231 1/20 0.58
NCOA2 Q15596 1/20 0.58

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
SCHEMBL11756008 0.90 EGFR (0.56) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL11753706 0.90 EGFR (0.56) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL11756303 0.89 CYP3A4 (0.55) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL11754612 0.89 CYP3A4 (0.55) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL11753985 0.89 CYP3A4 (0.55) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL5109566 0.85 MAPT (0.79) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL11210966 0.84 MAPT (0.56) MAPTALDH1A1MEN1KMT2ATDP1
1,4-Dimethoxyanthraquinone SCHEMBL3417221 0.83 MAPT (1.00) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL5103640 0.79 POLB (0.54) MAPTMEN1KMT2APOLBAPEX1
SCHEMBL11577441 0.78 ALDH1A1 (0.68) MAPTALDH1A1MEN1KMT2ATDP1

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
EP-2537186-A1 USE OF INDANTHRENE COMPOUNDS IN ORGANIC PHOTOVOLTAICS BASF SE (DE) 2012-12-26 EP disclosed
US-20110203649-A1 USE OF INDANTHRENE COMPOUNDS IN ORGANIC PHOTOVOLTAICS BASF SE (DE) 2011-08-25 US disclosed
WO-2011101810-A1 USE OF INDANTHRENE COMPOUNDS IN ORGANIC PHOTOVOLTAICS BASF SE (DE) 2011-08-25 WO disclosed
US-4006171-A FROM NITROANTHRAQUINONE AND HALOGEN BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 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-20110203649-A1 USE OF INDANTHRENE COMPOUNDS IN ORGANIC PHOTOVOLTAICS ICMT, EPCAM, INF2 MAPT 266/4885ALDH1A1 1759/4885MEN1 1375/4885

“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.