SCHEMBL25282940

SCHEMBL25282940

CN(C)CCOc1cc(-c2ccccc2[N+](=O)[O-])c(F)c2nc(-c3ccccc3)[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MGAM O43451 1/20 0.37
▸ SI P14410 1/20 0.37
▸ MGAM2 Q2M2H8 1/20 0.37
▸ ADORA2A P29274 4/20 0.36
▸ ADORA1 P30542 3/20 0.36
▸ DYRK3 O43781 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ RPS6KB1 P23443 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ PKN2 Q16513 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ BRSK1 Q8TDC3 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ HIPK2 Q9H2X6 1/20 0.36

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
SCHEMBL30060840 1.00 HTR7 (0.40) HTR7KDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL23875662 0.94 GAA (0.42) HTR7KDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL30059610 0.85 MGAM (0.42) GAAALDH1A1MGAMSIMGAM2
SCHEMBL23875720 0.85 MGAM (0.42) GAAALDH1A1MGAMSIMGAM2
SCHEMBL30060851 0.79 HTR7 (0.44) HTR7KDM4EALDH1A1SMN1; SMN2ADORA2A
SCHEMBL23875711 0.79 HTR7 (0.44) HTR7KDM4EALDH1A1SMN1; SMN2ADORA2A
SCHEMBL30058021 0.78 GAA (0.46) HTR7KDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL23876066 0.78 GAA (0.46) HTR7KDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL23875565 0.74 KDM4E (0.47) HTR7KDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL23875712 0.73 ACHE (0.37) HTR7KDM4EALDH1A1SMN1; SMN2ADORA2A

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
US-20230174485-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-06-08 — — US 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 HTR7 2208/4885KDM4E 1282/4885GAA 525/4885

“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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