SCHEMBL13050162

SCHEMBL13050162

[C-]#[N+]c1ccc2c(c1)[C@@H](Oc1nsc3cc([N+](=O)[O-])ccc13)[C@H](O)C(C)(C)O2

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 4/20 0.51
▸ TLR3 O15455 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ NPY1R P25929 1/20 0.30
▸ NPY2R P49146 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL13050144 0.85 ABCC9 (0.70) ABCC9
SCHEMBL482523 0.84 ABCC9 (0.73) ABCC9MEN1KMT2A
SCHEMBL13050146 0.71 ABCC9 (0.54) ABCC9
SCHEMBL13050152 0.70 ABCC9 (0.71) ABCC9ALDH1A1KMT2A
SCHEMBL13050135 0.70 ABCC9 (0.46) ABCC9MAPTHTTSMN1; SMN2MEN1
SCHEMBL13050115 0.69 RIPK1 (0.42) ABCC9MAPTSMN1; SMN2ALDH1A1POLB
SCHEMBL13050158 0.69 ABCC9 (0.49) ABCC9
SCHEMBL13050147 0.69 ABCC9 (0.49) ABCC9
SCHEMBL13050149 0.69 ABCC9 (0.61) ABCC9
SCHEMBL10266387 0.68 ABCC9 (1.00) ABCC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838553-B2 Benzopyran derivatives as potassium channel openers JANSSEN PHARMACEUTICA NV (BE) 2010-11-23 — — US disclosed
US-7812183-B2 Benzopyran derivatives as potassium channel openers JANSSEN PHARMACEUTICA NV (BE) 2010-10-12 — — US disclosed
US-20070072832-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-29 — — US disclosed
US-20070049556-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-01 — — 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 (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-20070049556-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS KCNJ2, KCNN1, KCNN3 ABCC9 217/4885TLR3 3349/4885LMNA 1200/4885
US-20070072832-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS KCNJ2, KCNN1, KCNN3 ABCC9 217/4885TLR3 3349/4885LMNA 1200/4885

“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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