SCHEMBL4902137

SCHEMBL4902137

O=C(N/N=C(\C=N\O)c1cccc(Cl)c1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ RECQL P46063 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ POLB P06746 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ HTT P42858 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ GAA P10253 2/20 0.43
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL4902141 1.00 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2RECQLMAPTMEN1
SCHEMBL4881908 0.88 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2RECQLMAPTMEN1
SCHEMBL4881911 0.88 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2RECQLMAPTMEN1
SCHEMBL4901756 0.83 L3MBTL1 (0.54) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4878430 0.83 L3MBTL1 (0.54) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4878436 0.83 L3MBTL1 (0.54) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4908928 0.83 MAPT (0.48) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4908916 0.83 MAPT (0.48) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4901749 0.83 L3MBTL1 (0.54) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4927292 0.82 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A

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-20080227787-A1 Use of New Lipoxygenase Inhibitors BIOLIPOX AB (SE) 2008-09-18 — — US disclosed
EP-1725227-A1 USE OF NEW LIPOXYGENASE INHIBITORS Biolipox AB (SE) 2006-11-29 — — EP disclosed
WO-2005084656-A1 USE OF NEW LIPOXYGENASE INHIBITORS BIOLIPOX AB (SE) 2005-09-15 — — 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 (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-20080227787-A1 Use of New Lipoxygenase Inhibitors ALOX15, ALOX15B, ALOX12 ALDH1A1 464/4885SMN1; SMN2 3659/4885RECQL 816/4885

“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.

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