SCHEMBL1359204

SCHEMBL1359204

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 2/20 0.43
▸ ESR1 P03372 8/20 0.43
▸ ESR2 Q92731 7/20 0.43
▸ MIF P14174 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ PKLR P30613 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ NOX4 Q9NPH5 1/20 0.40
▸ CDC25A P30304 1/20 0.39
▸ CDC25C P30307 1/20 0.39
▸ PDE2A O00408 1/20 0.39
▸ ERAP1 Q9NZ08 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MGAM O43451 1/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GLA P06280 1/20 0.36

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
SCHEMBL12137350 0.86 NQO1 (0.41) HSD17B3ESR1ESR2CDC25ACDC25C
SCHEMBL12137348 0.81 ESR1 (0.42) HSD17B3ESR1ESR2PKLRNPSR1
SCHEMBL1357283 0.78 ESR1 (0.48) HSD17B3ESR1ESR2MIFCA9
Asphodelin A SCHEMBL29386434 0.71 NOX4 (0.67) HSD17B3ESR1ESR2PKLRNPSR1
SCHEMBL5109410 0.69 ESR1 (0.81) HSD17B3ESR1ESR2PKLRNOX4
SCHEMBL27886627 0.67 ALDH1A1 (0.62) HSD17B3CA9LMNAKDM4EMEN1
SCHEMBL27981344 0.66 HSD17B3 (0.69) HSD17B3ESR1ESR2CA9PKLR
SCHEMBL14277816 0.66 ESR1 (0.60) HSD17B3ESR1ESR2PKLRNPSR1
SCHEMBL5111890 0.65 ESR1 (0.58) HSD17B3ESR1ESR2PKLRNPSR1
SCHEMBL13314111 0.65 USP2 (0.56) HSD17B3ESR1ESR2CA9CDC25A

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 18 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 claimed
US-20100069474-A1 NOVEL COUMARIN DERIVATIVES AS ION CHANNEL OPENERS JAIN NARESHKUMAR F 2010-03-18 — — US claimed
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 claimed
CN-101142203-A Novel coumarin derivatives as ion channel openers JANSSEN PHARMACEUTICA NV (BE) 2008-03-12 — — CN claimed
EP-1846386-A2 NOVEL COUMARIN DERIVATIVES AS ION CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-24 — — EP claimed
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 claimed
WO-2006078833-A2 NOVEL COUMARIN DERIVATIVES AS ION CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-27 — — WO claimed
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
CN-101142203-A Novel coumarin derivatives as ion channel openers JANSSEN PHARMACEUTICA NV (BE) 2008-03-12 — — CN disclosed
EP-1846386-A2 NOVEL COUMARIN DERIVATIVES AS ION CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-24 — — EP 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
WO-2006078833-A2 NOVEL COUMARIN DERIVATIVES AS ION CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-27 — — WO 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 HSD17B3 3296/4885ESR1 3463/4885ESR2 2401/4885
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 HSD17B3 517/4885ESR1 226/4885ESR2 162/4885

“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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