SCHEMBL4158236

SCHEMBL4158236

COc1ccc([N+](=O)[O-])nc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
KDM4E B2RXH2 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.40
PIN1 Q13526 1/20 0.39
MAPT P10636 3/20 0.39
PKM P14618 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
PRKDC P78527 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP19A1 P11511 2/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL2031745 0.84 MEN1 (0.46) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL8558796 0.81 KMT2A (0.47) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL26151331 0.80 FFAR4 (0.39) MEN1KMT2AALDH1A1L3MBTL1POLB
SCHEMBL30067862 0.80 ALDH1A1 (0.39) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL26151285 0.78 MEN1 (0.40) MEN1KMT2AALDH1A1TDP1SMN1; SMN2
SCHEMBL6074247 0.77 ALDH1A1 (0.46) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL17372668 0.76 USP8 (0.44) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL6073621 0.76 MEN1 (0.43) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL187572 0.76 ALDH1A1 (0.48) MEN1KMT2AALDH1A1TDP1KDM4E
SCHEMBL187255 0.76 TDP1 (0.44) MEN1KMT2AALDH1A1TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186918-A1 Triazole Compounds as Lipoxygenase Inhibitors BIOLIPOX AB (SE) 2009-07-23 US disclosed
US-20090143440-A1 Pyrazoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-06-04 US disclosed
CN-101300236-A Triazole compounds as lipoxygenase inhibitors BIOLIPOX AB (SE) 2008-11-05 CN disclosed
EP-1943241-A1 PYRAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2008-07-16 EP disclosed
EP-1943234-A1 TRIAZOLE COMPOUNDS AS LIPOXYGENASE INHIBITORS Biolipox AB (SE) 2008-07-16 EP disclosed
WO-2007051981-A1 PYRAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2007-05-10 WO disclosed
WO-2007051982-A1 TRIAZOLE COMPOUNDS AS LIPOXYGENASE INHIBITORS BIOLIPOX AB (SE) 2007-05-10 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-20090143440-A1 Pyrazoles Useful in the Treatment of Inflammation ALOX15, ALOX12, ALOX15B MEN1 4000/4885KMT2A 4450/4885ALDH1A1 654/4885
US-20090186918-A1 Triazole Compounds as Lipoxygenase Inhibitors ALOX15, ALOX15B, ALOX12 MEN1 4656/4885KMT2A 3024/4885ALDH1A1 555/4885

“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.