SCHEMBL23875565

SCHEMBL23875565

CN(C)CCOc1cc(-c2ccccc2[N+](=O)[O-])c(F)cc1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.47
▸ GAA P10253 1/20 0.47
▸ CHRNB2 P17787 1/20 0.44
▸ CHRNA4 P43681 1/20 0.44
▸ RAB9A P51151 3/20 0.43
▸ RECQL P46063 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ HTR7 P34969 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SLC6A9 P48067 1/20 0.39
▸ ROCK2 O75116 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ AGTR1 P30556 1/20 0.38
▸ THRA P10827 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
SCHEMBL23875612 0.82 KDM4E (0.48) KDM4EGAACHRNB2CHRNA4RAB9A
SCHEMBL30227291 0.82 KDM4E (0.48) KDM4EGAACHRNB2CHRNA4RAB9A
SCHEMBL30227222 0.78 CHRNB2 (0.51) KDM4EGAACHRNB2CHRNA4RAB9A
SCHEMBL23875541 0.78 CHRNB2 (0.51) KDM4EGAACHRNB2CHRNA4RAB9A
SCHEMBL25241721 0.78 KDM4E (0.43) KDM4EGAACHRNB2CHRNA4RAB9A
SCHEMBL30059651 0.78 KDM4E (0.43) KDM4EGAACHRNB2CHRNA4RAB9A
SCHEMBL6298227 0.78 NPC1 (0.72) KDM4EGAACHRNB2CHRNA4RAB9A
SCHEMBL30060840 0.74 HTR7 (0.40) KDM4EGAACHRNB2CHRNA4HTR7
SCHEMBL25282940 0.74 HTR7 (0.40) KDM4EGAACHRNB2CHRNA4HTR7
SCHEMBL4646206 0.73 KDM4E (0.54) KDM4EGAACHRNB2CHRNA4RAB9A

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-20230174485-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-06-08 — — US disclosed
US-20230174485-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-06-08 — — US disclosed
WO-2021195346-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2021-09-30 — — 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-20230174485-A1 LIPOXYGENASE INHIBITORS ALOX15B, ALOX12, ALOX15 KDM4E 1282/4885GAA 525/4885CHRNB2 2498/4885

“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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