SCHEMBL688477

SCHEMBL688477

COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N[C@H](C)CO)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.51
GABRD O14764 1/20 0.51
GABRA1 P14867 1/20 0.51
GABRB1 P18505 1/20 0.51
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51
GABRA5 P31644 1/20 0.51
GABRA3 P34903 1/20 0.51
GABRA2 P47869 1/20 0.51
GABRB2 P47870 1/20 0.51
GABRA4 P48169 1/20 0.51
GABRE P78334 1/20 0.51
GABRA6 Q16445 1/20 0.51
GABRG1 Q8N1C3 1/20 0.51
GABRG3 Q99928 1/20 0.51
GABRQ Q9UN88 1/20 0.51
LMNA P02545 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
HTT P42858 2/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL688476 1.00 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29611681 1.00 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6939383 1.00 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6944912 0.91 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6944905 0.91 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7566052 0.91 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6941533 0.89 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6941538 0.89 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6941653 0.89 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6941660 0.89 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006528229-A 2006-12-14 JP claimed
US-20060148693-A1 Composition comprising a pulmonary surfactant and a pde5 inhibitor for the treatment of lung diseases ALTANA PHARMA AG (DE) 2006-07-06 US claimed
US-20060094723-A1 Composition comprising a pde4 inhibitor and a pde5 inhibitor NYCOMED GMBH (DE) 2006-05-04 US claimed
EP-1638567-A1 COMPOSITION COMPRISING A PULMONARY SURFACTANT AND A PDE5 INHIBITOR FOR THE TREATMENT OF LUNG DISEASES ALTANA Pharma AG (DE) 2006-03-29 EP claimed
EP-1628682-A2 COMPOSITION COMPRISING A PDE4 INHIBITOR AND A PDE5 INHIBITOR ALTANA Pharma AG (DE) 2006-03-01 EP claimed
WO-2004110450-A1 COMPOSITION COMPRISING A PULMONARY SURFACTANT AND A PDE5 INHIBITOR FOR THE TREATMENT OF LUNG DISEASES ALTANA PHARMA AG (DE) 2004-12-23 WO claimed
WO-2004103407-A2 COMPOSITION COMPRISING A PDE4 INHIBITOR AND A PDE5 INHIBITOR ALTANA PHARMA AG (DE) 2004-12-02 WO claimed
EP-1080069-B1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO (JP) 2003-03-19 EP claimed
EP-1275386-A1 SOLID DISPERSION WITH IMPROVED ABSORBABILITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-01-15 EP claimed
US-20020193614-A1 Anthranilic acid derivatives as inhibitors of the CGMP-phosphodiesterase FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-12-19 US claimed
US-20120196867-A1 COMPOSITION COMPRISING A PDE4 INHIBITOR AND A PDE5 INHIBITOR NYCOMED GMBH (DE) 2012-08-02 US disclosed
EP-1638567-B1 COMPOSITION COMPRISING A PULMONARY SURFACTANT AND SILDENAFIL FOR THE TREATMENT OF LUNG DISEASES NYCOMED GMBH (DE) 2012-02-29 EP disclosed
US-20100234382-A1 COMPOSITION COMPRISING A PDE4 INHIBITOR AND A PDE5 INHIBITOR NYCOMED GMBH (DE) 2010-09-16 US disclosed
US-7238664-B2 Composition comprising a pulmonary surfactant and a PDE5 inhibitor for the treatment of lung diseases ALTANA PHARMA AG (DE) 2007-07-03 US disclosed
US-20060148693-A1 Composition comprising a pulmonary surfactant and a pde5 inhibitor for the treatment of lung diseases ALTANA PHARMA AG (DE) 2006-07-06 US disclosed
EP-1275386-A1 SOLID DISPERSION WITH IMPROVED ABSORBABILITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-01-15 EP disclosed
US-20020193614-A1 Anthranilic acid derivatives as inhibitors of the CGMP-phosphodiesterase FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-12-19 US disclosed
US-6384080-B1 TREATMENT AND/OR PREVENTION OF CERTAIN CARDIOVASCULAR DISORDERS, UROGENITAL DISORDERS, RESPIRATORY SYSTEM DISORDERS, DISORDERS OF GUT MOTILITY, SEXUAL DISORDERS, DIABETIC COMPLICATIONS, URTICARIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed
EP-1080069-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-07 EP disclosed
WO-1999054284-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-28 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 (4 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-20120196867-A1 COMPOSITION COMPRISING A PDE4 INHIBITOR AND A PDE5 INHIBITOR PDE5A, PDE12, PDE4A GABRP 3364/4885GABRD 3227/4885GABRA1 3676/4885
US-20060094723-A1 Composition comprising a pde4 inhibitor and a pde5 inhibitor PDE5A, PDE12, PDE4A GABRP 3574/4885GABRD 3548/4885GABRA1 3562/4885
US-20020193614-A1 Anthranilic acid derivatives as inhibitors of the CGMP-phosphodiesterase PDE3A, PDE2A, PDE5A GABRP 2830/4885GABRD 1999/4885GABRA1 2035/4885
US-20100234382-A1 COMPOSITION COMPRISING A PDE4 INHIBITOR AND A PDE5 INHIBITOR PDE5A, PDE12, PDE4A GABRP 3574/4885GABRD 3548/4885GABRA1 3562/4885

“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.