SCHEMBL4881832

SCHEMBL4881832

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.55
▸ GAA P10253 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ NPC1 O15118 3/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ LMNA P02545 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ DUSP3 P51452 2/20 0.54
▸ PTPN5 P54829 2/20 0.54
▸ PTPN11 Q06124 2/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ HTT P42858 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ POLB P06746 3/20 0.54
▸ AGTR1 P30556 2/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ OPRK1 P41145 2/20 0.52

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
SCHEMBL4881835 1.00 ALDH1A1 (0.55) ALDH1A1GAAMAPTNPC1RAB9A
SCHEMBL4878436 0.93 L3MBTL1 (0.54) ALDH1A1GAAMAPTNPC1RAB9A
SCHEMBL4878430 0.93 L3MBTL1 (0.54) ALDH1A1GAAMAPTNPC1RAB9A
SCHEMBL4901756 0.93 L3MBTL1 (0.54) ALDH1A1GAAMAPTNPC1RAB9A
SCHEMBL4901749 0.93 L3MBTL1 (0.54) ALDH1A1GAAMAPTNPC1RAB9A
SCHEMBL4908928 0.83 MAPT (0.48) ALDH1A1GAAMAPTNPC1RAB9A
SCHEMBL4908916 0.83 MAPT (0.48) ALDH1A1GAAMAPTNPC1RAB9A
SCHEMBL4881500 0.82 MEN1 (0.54) ALDH1A1GAAMAPTNPC1RAB9A
SCHEMBL4881496 0.82 MEN1 (0.54) ALDH1A1GAAMAPTNPC1RAB9A
SCHEMBL4883104 0.80 TSHR (0.54) ALDH1A1MAPTRAB9ALMNAHTT

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 464/4885GAA 2082/4885MAPT 4603/4885

“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.

Send feedback