SCHEMBL482388

SCHEMBL482388

CC1(C)Oc2ccc(C#N)cc2C(S(=O)(=O)c2nc3cc(Cl)ccc3o2)C1O

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 16/20 0.64
KCNE1 P15382 3/20 0.46
KCNQ1 P51787 3/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
KCND3 Q9UK17 1/20 0.46

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
SCHEMBL13079585 1.00 ABCC9 (0.64) ABCC9KCNE1KCNQ1MEN1CYP1A2
SCHEMBL13050130 0.84 ABCC9 (0.44) ABCC9KCNE1KCNQ1
SCHEMBL27739434 0.81 ABCC9 (0.57) ABCC9KCNE1KCNQ1MEN1CYP1A2
SCHEMBL482424 0.78 ABCC9 (0.64) ABCC9KCNE1KCNQ1MEN1CYP1A2
SCHEMBL13122320 0.78 ABCC9 (0.64) ABCC9KCNE1KCNQ1MEN1CYP1A2
SCHEMBL482180 0.78 ABCC9 (1.00) ABCC9
SCHEMBL10266329 0.78 ABCC9 (1.00) ABCC9
SCHEMBL482506 0.74 ABCC9 (0.49) ABCC9KCNE1KCNQ1MEN1CYP1A2
SCHEMBL13079586 0.74 ABCC9 (0.49) ABCC9KCNE1KCNQ1MEN1CYP1A2
SCHEMBL13080478 0.73 ABCC8 (0.51) ABCC9KCNE1KCNQ1MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937669-B9 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA NV (BE) 2012-07-18 EP disclosed
EP-1937669-B1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA NV (BE) 2012-02-01 EP disclosed
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 217/4885KCNE1 33/4885KCNQ1 15/4885
US-20070072832-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS KCNJ2, KCNN1, KCNN3 ABCC9 217/4885KCNE1 33/4885KCNQ1 15/4885

“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.