SCHEMBL7929928

SCHEMBL7929928

COc1cc([N+](=O)[O-])cc(OC)c1N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.67
TDP1 Q9NUW8 3/20 0.59
ERN1 O75460 1/20 0.53
POLB P06746 1/20 0.52
ALDH1A1 P00352 4/20 0.50
PKM P14618 2/20 0.46
CYP3A4 P08684 2/20 0.46
MAPT P10636 2/20 0.45
ALOX5 P09917 1/20 0.45
RECQL P46063 1/20 0.45
DUSP3 P51452 1/20 0.45
PTPN5 P54829 1/20 0.45
PTPN11 Q06124 1/20 0.45
TSHR P16473 1/20 0.45
PTGS2 P35354 2/20 0.45
CYP19A1 P11511 2/20 0.45
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL29407238 0.90 HTT (0.66) HTTTDP1ERN1POLBALDH1A1
SCHEMBL477199 0.90 HTT (0.66) HTTTDP1ERN1POLBALDH1A1
SCHEMBL31405107 0.89 HTT (0.59) HTTTDP1ERN1POLBALDH1A1
SCHEMBL5159243 0.89 HTT (0.59) HTTTDP1ERN1POLBALDH1A1
SCHEMBL29406556 0.89 HTT (0.59) HTTTDP1ERN1POLBALDH1A1
SCHEMBL11524810 0.89 HTT (0.59) HTTTDP1ERN1POLBALDH1A1
SCHEMBL3795414 0.87 ALDH1A1 (0.61) HTTTDP1ERN1POLBALDH1A1
SCHEMBL10882469 0.87 ALDH1A1 (0.67) HTTTDP1ERN1POLBALDH1A1
SCHEMBL11525594 0.83 XDH (0.60) HTTTDP1ERN1POLBALDH1A1
SCHEMBL11691998 0.83 HTT (0.53) HTTTDP1ERN1POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070044254-A1 Novel 2,6-disubstituted primary para-phenylenediamines and process for their use in the oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2007-03-01 US disclosed
US-20070044254-A1 Novel 2,6-disubstituted primary para-phenylenediamines and process for their use in the oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2007-03-01 US disclosed
EP-0661350-B1 Quinizarin compound, method for production thereof, and use therefor NIPPON CATALYTIC CHEM IND (JP) 2001-08-22 EP disclosed
US-5968688-A RESINS AND DYES FOR COLOR FILTERS NIPPON SHOKUBAI CO., LTD. (JP) 1999-10-19 US disclosed
US-5817843-A Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1998-10-06 US disclosed
EP-0833203-A1 Color filter grade photosensitive resin coloring composition, and color filter using the same NIPPON SHOKUBAI CO., LTD. (JP) 1998-04-01 EP disclosed
US-5608091-A SHEETS FOR HEAT EXCHANGING AND OPTICAL RECORDING MATERIAL NIPPON SHOKUBAI CO., LTD. (JP) 1997-03-04 US disclosed
EP-0661350-A1 Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1995-07-05 EP disclosed
EP-0159291-A1 Ink composition for the ink-jet printing process CIBA-GEIGY AG (CH) 1985-10-23 EP 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-20070044254-A1 Novel 2,6-disubstituted primary para-phenylenediamines and process for their use in the oxidation dyeing of keratin fibers KRT18, DSP, CDC73 HTT 4243/4885TDP1 2249/4885ERN1 4038/4885

“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.