SCHEMBL12137348

SCHEMBL12137348

[C-]#[N+]c1ccc2c(C=C)c(-c3ccc(O)cc3O)c(=O)oc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 7/20 0.42
▸ ESR2 Q92731 6/20 0.42
▸ NOX4 Q9NPH5 1/20 0.42
▸ PKLR P30613 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ CDC25A P30304 1/20 0.39
▸ CDC25C P30307 1/20 0.39
▸ PDE2A O00408 1/20 0.38
▸ HSD17B3 P37058 1/20 0.37
▸ ERAP1 Q9NZ08 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MGAM O43451 1/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ POLB P06746 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
SCHEMBL1359204 0.81 HSD17B3 (0.43) ESR1ESR2NOX4PKLRNPSR1
SCHEMBL12137353 0.79 ESR1 (0.47) ESR1ESR2NOX4PKLRCDC25A
Asphodelin A SCHEMBL29386434 0.70 NOX4 (0.67) ESR1ESR2NOX4PKLRNPSR1
SCHEMBL12137350 0.70 NQO1 (0.41) ESR1ESR2CDC25ACDC25CHSD17B3
SCHEMBL5109410 0.68 ESR1 (0.81) ESR1ESR2NOX4PKLRPDE2A
SCHEMBL27981344 0.66 HSD17B3 (0.69) ESR1ESR2PKLRNPSR1RXFP1
SCHEMBL14277816 0.65 ESR1 (0.60) ESR1ESR2NOX4PKLRNPSR1
SCHEMBL5111890 0.64 ESR1 (0.58) ESR1ESR2NOX4PKLRNPSR1
SCHEMBL5110923 0.64 ESR1 (0.67) ESR1ESR2CDC25ACDC25CHSD17B3
SCHEMBL5108418 0.61 ESR2 (0.57) ESR1ESR2NOX4PKLRCDC25A

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-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-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

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 ESR1 3463/4885ESR2 2401/4885NOX4 1114/4885
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 ESR1 226/4885ESR2 162/4885NOX4 774/4885

“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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