SCHEMBL13050135

SCHEMBL13050135

[C-]#[N+]c1ccc2c(c1)[C@@H](Oc1ncnc3ccccc13)[C@H](O)C(C)(C)O2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 4/20 0.46
▸ CYP2C19 P33261 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PTGS2 P35354 1/20 0.34
▸ HPGD P15428 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ RXFP1 Q9HBX9 2/20 0.31

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
SCHEMBL481925 0.82 ABCC9 (0.67) ABCC9CYP2C19KDM4ECYP1A2CYP2C9
SCHEMBL13050146 0.81 ABCC9 (0.54) ABCC9
SCHEMBL13050144 0.80 ABCC9 (0.70) ABCC9
SCHEMBL13050079 0.79 ABCC9 (0.41) ABCC9
SCHEMBL13050158 0.75 ABCC9 (0.49) ABCC9
SCHEMBL13050149 0.75 ABCC9 (0.61) ABCC9
SCHEMBL13050147 0.75 ABCC9 (0.49) ABCC9
SCHEMBL13050152 0.73 ABCC9 (0.71) ABCC9ALDH1A1KMT2A
SCHEMBL13050098 0.72 ABCC9 (0.38) ABCC9
SCHEMBL13050081 0.72 ABCC9 (0.37) 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 217/4885CYP2C19 1622/4885POLB 4587/4885
US-20070072832-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS KCNJ2, KCNN1, KCNN3 ABCC9 217/4885CYP2C19 1622/4885POLB 4587/4885

“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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