SCHEMBL6906382

SCHEMBL6906382

O=C(/C=C/c1ccccc1)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
CYP1B1 Q16678 1/20 0.52
MAPT P10636 3/20 0.50
MAOB P27338 2/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.49
BCHE P06276 1/20 0.49
NFE2L2 Q16236 1/20 0.48
HSPB1 P04792 1/20 0.47
HSP90AA1 P07900 1/20 0.46
CCR6 P51684 1/20 0.46
TTR P02766 1/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
MMP1 P03956 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CES2 O00748 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL6906384 1.00 KMT2A (0.53) KMT2AMEN1CYP1B1MAPTMAOB
SCHEMBL5550709 0.89 TTR (0.51) KMT2AMEN1MAPTALDH1A1TTR
SCHEMBL5550712 0.89 TTR (0.51) KMT2AMEN1MAPTALDH1A1TTR
SCHEMBL6908272 0.85 KMT2A (0.63) KMT2AMEN1CYP1B1MAPTMAOB
SCHEMBL6908269 0.85 KMT2A (0.63) KMT2AMEN1CYP1B1MAPTMAOB
SCHEMBL14206794 0.84 CYP1B1 (0.51) KMT2AMEN1CYP1B1MAPTMAOB
SCHEMBL14206786 0.84 CYP1B1 (0.51) KMT2AMEN1CYP1B1MAPTMAOB
SCHEMBL6911280 0.81 KMT2A (0.57) KMT2AMEN1CYP1B1MAPTMAOB
SCHEMBL7922516 0.81 CYP1B1 (0.64) KMT2AMEN1CYP1B1MAPTMAOB
SCHEMBL6908275 0.81 CYP1B1 (0.64) KMT2AMEN1CYP1B1MAPTMAOB

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 KMT2A 679/4885MEN1 1404/4885CYP1B1 3512/4885

“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.