SCHEMBL4881500

SCHEMBL4881500

O=C(NN=C(C=NO)c1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ POLB P06746 3/20 0.54
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ MITF O75030 2/20 0.51
▸ GAA P10253 4/20 0.51
▸ CES2 O00748 1/20 0.50
▸ CES1 P23141 1/20 0.50
▸ EGFR P00533 1/20 0.50
▸ MAPT P10636 7/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ OPRK1 P41145 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.46

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
SCHEMBL4881496 1.00 MEN1 (0.54) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL5715919 0.86 NPC1 (0.53) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL5715915 0.86 NPC1 (0.53) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL4908916 0.86 MAPT (0.48) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL4908928 0.86 MAPT (0.48) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL4883234 0.82 ALDH1A1 (0.54) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL4883238 0.82 ALDH1A1 (0.54) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL4881832 0.82 ALDH1A1 (0.55) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL4881835 0.82 ALDH1A1 (0.55) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL11847100 0.82 KMT2A (0.59) MEN1KMT2APOLBNPC1RAB9A

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 MEN1 4240/4885KMT2A 3684/4885POLB 1905/4885

“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