SCHEMBL23579367

SCHEMBL23579367

COc1ccc(CNc2cccc([N+](=O)[O-])c2OCCN(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.54
KMT2A Q03164 4/20 0.49
MAPT P10636 4/20 0.49
MEN1 O00255 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
HPGD P15428 1/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CACNA1B Q00975 3/20 0.44
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPK1 P28482 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
PRKCQ Q04759 1/20 0.41
PTPN1 P18031 1/20 0.41

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
SCHEMBL23609771 0.91 CACNA1B (0.46) NPC1KMT2AMAPTMEN1CRHBP
SCHEMBL23609776 0.89 MAPT (0.47) NPC1KMT2AMAPTMEN1CRHBP
SCHEMBL29973153 0.89 MAPT (0.47) NPC1KMT2AMAPTMEN1CRHBP
SCHEMBL29973287 0.81 ACHE (0.49) KMT2AMEN1CACNA1BLMNAGAA
SCHEMBL23609192 0.81 ACHE (0.49) KMT2AMEN1CACNA1BLMNAGAA
SCHEMBL7318993 0.79 MAPT (0.68) NPC1KMT2AMAPTMEN1CRHBP
SCHEMBL23609225 0.78 CACNA1B (0.48) MAPTCACNA1BMAPK1
SCHEMBL31382898 0.77 NPC1 (0.59) NPC1KMT2AMAPTMEN1CRHBP
SCHEMBL23861126 0.75 ALDH1A1 (0.62) NPC1KMT2AMAPTMEN1HPGD
SCHEMBL28852498 0.75 L3MBTL1 (0.54) NPC1KMT2AMAPTMEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230117592-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-04-20 US disclosed
EP-4081199-A2 LIPOXYGENASE INHIBITORS SRI International (US) 2022-11-02 EP disclosed
CN-115135316-A Lipoxygenase inhibitors 思研(SRI)国际顾问与咨询公司 2022-09-30 CN disclosed
WO-2021133689-A2 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2021-07-01 WO disclosed
WO-2021133689-A2 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2021-07-01 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-20230117592-A1 LIPOXYGENASE INHIBITORS ALOX15B, ALOX12, ALOX5 NPC1 2027/4885KMT2A 2591/4885MAPT 2110/4885

“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.