SCHEMBL6907569

SCHEMBL6907569

O=C(C=Cc1cccc([N+](=O)[O-])c1)Oc1cccc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
MAOB P27338 1/20 0.62
LMNA P02545 3/20 0.60
ALDH1A1 P00352 3/20 0.60
TRPV1 Q8NER1 1/20 0.59
TXNRD1 Q16881 1/20 0.58
TXNRD3 Q86VQ6 1/20 0.58
TXNRD2 Q9NNW7 1/20 0.58
NFE2L2 Q16236 2/20 0.58
HSP90AA1 P07900 4/20 0.57
CCR6 P51684 1/20 0.57
MITF O75030 1/20 0.56
HTT P42858 1/20 0.56
ATM Q13315 1/20 0.56
FBP1 P09467 1/20 0.56
VCP P55072 1/20 0.56
CYP19A1 P11511 1/20 0.56
ITGB2 P05107 1/20 0.54
ICAM1 P05362 1/20 0.54
ITGAL P20701 1/20 0.54

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
SCHEMBL15364461 1.00 MAPT (0.62) MAPTMAOBLMNAALDH1A1TRPV1
SCHEMBL15367500 0.97 MAPT (0.60) MAPTMAOBLMNAALDH1A1TRPV1
SCHEMBL15363575 0.85 CYP19A1 (0.53) MAPTMAOBLMNAALDH1A1TXNRD1
SCHEMBL1284478 0.85 TRPV1 (0.62) MAPTMAOBLMNAALDH1A1TRPV1
SCHEMBL1284480 0.85 TRPV1 (0.62) MAPTMAOBLMNAALDH1A1TRPV1
SCHEMBL30913843 0.85 TRPV1 (0.62) MAPTMAOBLMNAALDH1A1TRPV1
SCHEMBL30109482 0.84 HSP90AA1 (0.59) MAPTLMNAALDH1A1TRPV1TXNRD1
SCHEMBL9522391 0.83 HSP90AA1 (0.53) MAPTMAOBLMNAALDH1A1TRPV1
SCHEMBL9522387 0.83 HSP90AA1 (0.53) MAPTMAOBLMNAALDH1A1TRPV1
SCHEMBL10891855 0.83 MAPT (0.59) MAPTMAOBLMNAALDH1A1TXNRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6689899-B2 HYDROGENATION OF THE CORRESPONDING DINITRO COMPOUNDS KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2004-02-10 US disclosed
US-20020019558-A1 Diamine and acid anhydride KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-02-14 US disclosed
US-6303742-B1 CHARACTERIZED BY A CINNAMOYL GROUP OR A DERIVED CINNAMOYL GROUP INCORPORATED THEREIN AND BY PHOTO-REACTIVITY AND HEAT-REACTIVITY WHICH ARE INHERENT IN THE CINNAMOYL GROUP. KANEKAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2001-10-16 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-20020019558-A1 Diamine and acid anhydride CA1, ASIC1, CA4 MAPT 573/4885MAOB 1298/4885LMNA 3713/4885

“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.