SCHEMBL1359577

SCHEMBL1359577

Cc1cc(=O)oc2ccc(C#N)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.55
▸ KDM4E B2RXH2 10/20 0.55
▸ HPGD P15428 9/20 0.55
▸ HSD17B10 Q99714 5/20 0.55
▸ MAOA P21397 1/20 0.50
▸ STS P08842 1/20 0.49
▸ AKR1B1 P15121 2/20 0.49
▸ MCL1 Q07820 2/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ CYP1A2 P05177 2/20 0.47
▸ CYP1A1 P04798 1/20 0.47
▸ CYP1B1 Q16678 1/20 0.47
▸ CA12 O43570 3/20 0.47
▸ CA9 Q16790 3/20 0.47
▸ PGR P06401 2/20 0.47
▸ GAA P10253 4/20 0.47
▸ GLA P06280 3/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ ALDH2 P05091 1/20 0.47

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
SCHEMBL1358889 0.87 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHSD17B10STS
SCHEMBL15842713 0.81 PGR (0.46) ALDH1A1KDM4ECA12CA9PGR
SCHEMBL30636721 0.77 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDHSD17B10MAOA
SCHEMBL67818 0.77 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDHSD17B10MAOA
SCHEMBL11340455 0.77 MAPT (0.52) ALDH1A1KDM4EHPGDHSD17B10MAOA
SCHEMBL548410 0.76 CYP2A6 (0.50) ALDH1A1KDM4EHPGDCA12CA9
SCHEMBL27523022 0.75 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDHSD17B10MAOA
SCHEMBL718720 0.74 NOS3 (0.40) ALDH1A1KDM4EHPGDCYP3A4CYP1A2
SCHEMBL17861315 0.74 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDHSD17B10MAOA
SCHEMBL10163685 0.74 CDK9 (0.46) ALDH1A1ALDH2SMN1; SMN2MAOBHSD17B3

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 11 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
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 ALDH1A1 1678/4885KDM4E 3289/4885HPGD 2449/4885
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 ALDH1A1 1703/4885KDM4E 756/4885HPGD 1322/4885

“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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