SCHEMBL6790906

SCHEMBL6790906

CC(=Cc1ccc(-c2ccc(Cl)cc2)cc1)[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 8/20 0.61
CYP2C9 P11712 2/20 0.58
ALDH1A1 P00352 2/20 0.58
LMNA P02545 2/20 0.58
MAPT P10636 2/20 0.58
MEN1 O00255 1/20 0.58
JAK2 O60674 1/20 0.58
MITF O75030 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
NTSR1 P30989 1/20 0.58
CYP2C19 P33261 1/20 0.58
KMT2A Q03164 1/20 0.58
ABL1 P00519 1/20 0.54
EGFR P00533 1/20 0.54
ABL2 P42684 1/20 0.54
TRPA1 O75762 1/20 0.42
HDAC2 Q92769 2/20 0.41
S1PR4 O95977 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL6790902 1.00 FBP1 (0.61) FBP1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL1245803 0.95 FBP1 (0.67) FBP1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL1245804 0.95 FBP1 (0.67) FBP1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL15510679 0.95 FBP1 (0.67) FBP1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9269719 0.85 FBP1 (0.56) FBP1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9269717 0.85 FBP1 (0.56) FBP1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL11215147 0.78 MAOB (0.55) FBP1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL11215148 0.78 MAOB (0.55) FBP1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL10664676 0.78 FBP1 (0.69) FBP1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL2746679 0.78 FBP1 (0.69) FBP1CYP2C9ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147573-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-29 US disclosed
US-20040110809-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-06-10 US disclosed
EP-1370536-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
EP-1370538-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
WO-2002074752-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed
WO-2002074750-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO 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 (2 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-20040110809-A1 Metalloproteinase inhibitors MMP9, MMP2, MMP3 FBP1 334/4885CYP2C9 366/4885ALDH1A1 294/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 FBP1 1465/4885CYP2C9 356/4885ALDH1A1 1250/4885

“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.