SCHEMBL3815519

SCHEMBL3815519

O=C1OC(=O)c2c1cc(O)c(O)c2[N+](=O)[O-].O=C1OCc2c1cc(O)c(O)c2[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
MAOA P21397 1/20 0.32
MMP1 P03956 1/20 0.32
F10 P00742 1/20 0.32
MAOB P27338 1/20 0.31
ALOX5 P09917 1/20 0.31
PRKD3 O94806 1/20 0.30
PRKCG P05129 1/20 0.30
PRKCB P05771 1/20 0.30
PRKCA P17252 1/20 0.30
PRKCH P24723 1/20 0.30
PRKCI P41743 1/20 0.30
PRKCE Q02156 1/20 0.30
PRKCQ Q04759 1/20 0.30
PRKCZ Q05513 1/20 0.30
PRKCD Q05655 1/20 0.30
PRKD1 Q15139 1/20 0.30
NUAK1 O60285 1/20 0.30
IGF1R P08069 1/20 0.30
MET P08581 1/20 0.30

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
SCHEMBL1609251 0.89 MAOB (0.36) ALDH1A1MAOAMAOBALOX5NUAK1
SCHEMBL1609319 0.87 ALDH1A1 (0.41) ALDH1A1PRKD3PRKCGPRKCBPRKCA
SCHEMBL29186006 0.73 GRIN2D (0.43) ALDH1A1
SCHEMBL1608810 0.73 KDM4E (0.44) ALDH1A1MAOAPRKCGPRKCAPRKCD
SCHEMBL1608266 0.72 NUAK1 (0.43) MAOANUAK1IGF1RMETPIM1
SCHEMBL1609751 0.70 RECQL (0.38) ALDH1A1MAOANUAK1IGF1RMET
SCHEMBL1609981 0.69 GAA (0.41) ALDH1A1
SCHEMBL15440586 0.68 ALDH1A1 (0.46) ALDH1A1PIM1
SCHEMBL22543060 0.66 BCL2 (0.50) ALDH1A1MAOAMMP1F10MAOB
SCHEMBL15680228 0.66 ALOX5 (0.36) MAOAMMP1F10MAOBALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209532-A1 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2009-08-20 US claimed

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-20090209532-A1 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, UGT1A1 ALDH1A1 65/4885MAOA 14/4885MMP1 2959/4885

“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.