SCHEMBL3178626

SCHEMBL3178626

N#Cc1ccc2c(c1)OCCc1c-2c(=O)oc2cc(F)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 2/20 0.40
▸ CDC25C P30307 2/20 0.40
▸ MAOB P27338 4/20 0.38
▸ GRM5 P41594 4/20 0.36
▸ NQO1 P15559 1/20 0.35
▸ FABP6 P51161 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ MIF P14174 1/20 0.32
▸ EED O75530 1/20 0.32
▸ SUZ12 Q15022 1/20 0.32
▸ EZH2 Q15910 1/20 0.32
▸ MAOA P21397 2/20 0.32
▸ DRD2 P14416 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 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
SCHEMBL5108590 0.84 MAOA (0.48) CDC25ACDC25CMAOBNQO1MAOA
SCHEMBL5117623 0.77 MAOB (0.37) CDC25ACDC25CMAOBGRM5DRD2
SCHEMBL5107324 0.76 MAOA (0.54) CDC25ACDC25CMAOBNQO1MAOA
SCHEMBL5113287 0.73 ESR1 (0.45) CDC25ACDC25CNQO1MIFMAOA
SCHEMBL1090921 0.70 GRM5 (0.66) MAOBGRM5PIK3CAPIK3CBMAOA
SCHEMBL5122044 0.69 MAOA (0.51) MAOBMIFMAOAKDM4EALDH1A1
SCHEMBL5115307 0.69 HPGD (0.51) MAOBMAOAKDM4EALDH1A1GLA
SCHEMBL12137350 0.68 NQO1 (0.41) CDC25ACDC25CNQO1ESR1
SCHEMBL5114993 0.68 CA12 (0.43) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL5120765 0.66 MEN1 (0.43) CDC25ACDC25CMAOBNQO1DRD2

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 10 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-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
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 CDC25A 4166/4885CDC25C 3521/4885MAOB 3884/4885
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 CDC25A 4243/4885CDC25C 4079/4885MAOB 841/4885

“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.

Send feedback