SCHEMBL23875612

SCHEMBL23875612

CN(C)CCOc1cc(-c2ccccc2[N+](=O)[O-])ccc1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.48
▸ GAA P10253 1/20 0.48
▸ HTR7 P34969 3/20 0.47
▸ ALDH1A1 P00352 5/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ CHRNB2 P17787 1/20 0.45
▸ CHRNA4 P43681 1/20 0.45
▸ RECQL P46063 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ ESR1 P03372 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ ADRB2 P07550 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CTSB P07858 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40

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
SCHEMBL30227291 1.00 KDM4E (0.48) KDM4EGAAHTR7ALDH1A1SMN1; SMN2
SCHEMBL23875944 0.83 RAB9A (0.44) ALDH1A1SMN1; SMN2RECQLNPC1RAB9A
SCHEMBL23875565 0.82 KDM4E (0.47) KDM4EGAAHTR7ALDH1A1SMN1; SMN2
SCHEMBL30058068 0.80 KDM4E (0.47) KDM4EGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL23861142 0.80 KDM4E (0.47) KDM4EGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL30227222 0.79 CHRNB2 (0.51) KDM4EGAAHTR7ALDH1A1SMN1; SMN2
SCHEMBL23875541 0.79 CHRNB2 (0.51) KDM4EGAAHTR7ALDH1A1SMN1; SMN2
SCHEMBL6298227 0.79 NPC1 (0.72) KDM4EGAAHTR7ALDH1A1SMN1; SMN2
SCHEMBL25241721 0.77 KDM4E (0.43) KDM4EGAAHTR7ALDH1A1SMN1; SMN2
SCHEMBL30059651 0.77 KDM4E (0.43) KDM4EGAAHTR7ALDH1A1SMN1; SMN2

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 525/4885HTR7 2208/4885

“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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