SCHEMBL12137350

SCHEMBL12137350

C=Cc1c(-c2ccc(C#N)cc2O)c(=O)oc2cc(F)ccc12

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 2/20 0.41
▸ CDC25A P30304 2/20 0.40
▸ CDC25C P30307 2/20 0.40
▸ ESR1 P03372 12/20 0.38
▸ HSD17B3 P37058 1/20 0.34
▸ P4HB P07237 1/20 0.34
▸ ESR2 Q92731 2/20 0.34
▸ ALK Q9UM73 1/20 0.33

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
SCHEMBL1359204 0.86 HSD17B3 (0.43) CDC25ACDC25CESR1HSD17B3ESR2
SCHEMBL3178626 0.68 CDC25A (0.40) NQO1CDC25ACDC25CESR1
SCHEMBL5110923 0.68 ESR1 (0.67) NQO1CDC25ACDC25CESR1HSD17B3
SCHEMBL1357283 0.65 ESR1 (0.48) NQO1CDC25ACDC25CESR1HSD17B3
SCHEMBL5123944 0.64 ESR1 (0.56) NQO1CDC25ACDC25CESR1HSD17B3
SCHEMBL27643511 0.64 ESR1 (0.58) NQO1ESR1HSD17B3ESR2
SCHEMBL27886627 0.63 ALDH1A1 (0.62) HSD17B3
SCHEMBL29226081 0.62 HSD17B3 (0.69) HSD17B3
SCHEMBL2328638 0.61 ESR1 (0.60) ESR1HSD17B3ESR2
SCHEMBL29716542 0.60 ALDH1A1 (0.68) NQO1HSD17B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067619-B2 Coumarin derivatives as ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2011-11-29 — — US disclosed
US-8067619-B2 Coumarin derivatives as ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2011-11-29 — — US disclosed
US-20100069474-A1 NOVEL COUMARIN DERIVATIVES AS ION CHANNEL OPENERS JAIN NARESHKUMAR F 2010-03-18 — — US disclosed
US-20100069474-A1 NOVEL COUMARIN DERIVATIVES AS ION CHANNEL OPENERS JAIN NARESHKUMAR F 2010-03-18 — — US disclosed
US-7662975-B2 trifluoro-methanesulfonic acid 3-(2,4-dimethoxy-phenyl)-4-(2-methoxy-ethyl)-2-oxo-2H-chromen-7-yl ester as potassium channel modulators; urinary incontinence, overactive bladder, hypertension, erectile dysfunction, female sexual disorders, dysmenorrhea, irritable bowl syndrome, airway hyperactivity JANSSEN PHARMACEUTICA, NV (BE) 2010-02-16 — — US disclosed
US-7662975-B2 trifluoro-methanesulfonic acid 3-(2,4-dimethoxy-phenyl)-4-(2-methoxy-ethyl)-2-oxo-2H-chromen-7-yl ester as potassium channel modulators; urinary incontinence, overactive bladder, hypertension, erectile dysfunction, female sexual disorders, dysmenorrhea, irritable bowl syndrome, airway hyperactivity JANSSEN PHARMACEUTICA, NV (BE) 2010-02-16 — — US disclosed
US-20070037877-A1 trifluoro-methanesulfonic acid 3-(2,4-dimethoxy-phenyl)-4-(2-methoxy-ethyl)-2-oxo-2H-chromen-7-yl ester as potassium channel modulators; urinary incontinence, overactive bladder, hypertension, erectile dysfunction, female sexual disorders, dysmenorrhea, irritable bowl syndrome, airway hyperactivity JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-15 — — US disclosed
US-20070037877-A1 trifluoro-methanesulfonic acid 3-(2,4-dimethoxy-phenyl)-4-(2-methoxy-ethyl)-2-oxo-2H-chromen-7-yl ester as potassium channel modulators; urinary incontinence, overactive bladder, hypertension, erectile dysfunction, female sexual disorders, dysmenorrhea, irritable bowl syndrome, airway hyperactivity JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-15 — — 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-20100069474-A1 NOVEL COUMARIN DERIVATIVES AS ION CHANNEL OPENERS KCNJ2, KCNN3, KCNN2 NQO1 834/4885CDC25A 4166/4885CDC25C 3521/4885
US-20070037877-A1 trifluoro-methanesulfonic acid 3-(2,4-dimethoxy-phenyl)-4-(2-methoxy-ethyl)-2-oxo-2H-chromen-7-yl ester as potassium channel modulators; urinary incontinence, overactive bladder, hypertension, erectile dysfunction, female sexual disorders, dysmenorrhea, irritable bowl syndrome, airway hyperactivity KCNN2, KCNH3, KCNN1 NQO1 2310/4885CDC25A 4243/4885CDC25C 4079/4885

“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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