SCHEMBL4652135

SCHEMBL4652135

O=C(c1nc(NCc2ccccc2)c2cc(Cl)ccc2n1)c1ncc[nH]1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.49
HTR3A P46098 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
PKM P14618 1/20 0.44
PAK4 O96013 4/20 0.43
KDR P35968 1/20 0.43
TYMS P04818 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAT2A P31153 1/20 0.41
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
KMT2A Q03164 1/20 0.40
APP P05067 1/20 0.40

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
SCHEMBL432071 0.78 PDE5A (0.62) PDE5AHTR3AHRH4PKMTYMS
SCHEMBL5595129 0.76 PDE5A (0.52) PDE5AHTR3AHRH4PKMTYMS
Hydrochloric Acid SCHEMBL7278529 0.76 PDE5A (0.53) PDE5AHTR3AHRH4PKMTYMS
SCHEMBL5082461 0.75 CSF1R (0.51) HRH4KDRKMT2A
SCHEMBL148298 0.74 PDE5A (0.65) PDE5AHTR3AHRH4MAT2A
SCHEMBL2590769 0.73 RAD52 (0.68) PDE5AHTR3AHRH4PKMKDM4E
SCHEMBL3638867 0.73 PDE5A (0.73) PDE5AHTR3AHRH4PKMTYMS
SCHEMBL9921364 0.69 LMNA (0.72) PDE5ASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL7260498 0.69 CNR1 (0.54) PDE5AHTR3AHRH4
SCHEMBL15530102 0.69 KDR (0.64) KDR

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
EP-1418896-A2 ADMINISTRATION OF PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF PREMATURE EJACULATION Vivus, Inc. (US) 2004-05-19 EP claimed
WO-2003000343-A2 ADMINISTRATION OF PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF PREMATURE EJACULATION VIVUS, INC. (US) 2003-01-03 WO claimed
EP-2804603-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE President and Fellows of Harvard College (US) 2014-11-26 EP disclosed
WO-2013106547-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-07-18 WO disclosed
EP-1956906-A2 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF MEDICAL CONDITIONS CombinatoRx, Incorporated (US) 2008-08-20 EP disclosed
EP-1551416-A4 METHOD FOR TREATING ERECTILE DYSFUNCTION AND INCREASING LIBIDO IN MEN UNIMED PHARMACEUTICALS INC (US) 2008-04-23 EP disclosed
EP-1868590-A2 METHOD OF INCREASING TESTOSTERONE AND RELATED STEROID CONCENTRATIONS IN WOMEN Unimed Pharmaceuticals, Inc. (US) 2007-12-26 EP disclosed
WO-2007056457-A2 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF MEDICAL CONDITIONS COMBINATORX, INCORPORATED (US) 2007-05-18 WO disclosed
WO-2006113242-A2 METHOD OF INCREASING TESTOSTERONE AND RELATED STEROID CONCENTRATIONS IN WOMEN UNIMED PHARMACEUTICALS, INC. (US) 2006-10-26 WO disclosed
EP-1404343-A4 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OF HORMONE DEFICIENCIES SOLVAY PHARMACEUTICALS INC (US) 2006-08-02 EP disclosed
EP-1551416-A2 METHOD FOR TREATING ERECTILE DYSFUNCTION AND INCREASING LIBIDO IN MEN Unimed Pharmaceuticals, Inc. (US) 2005-07-13 EP disclosed
WO-2003002123-A2 THERAPEUTIC COMBINATIONS FOR THE TREATMENT OF HORMONE DEFICIENCIES SOLVAY PHARMACEUTICALS, INC. (US) 2003-01-09 WO disclosed
WO-2003000343-A2 ADMINISTRATION OF PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF PREMATURE EJACULATION VIVUS, INC. (US) 2003-01-03 WO disclosed
EP-1027054-A4 LOCAL ADMINISTRATION OF PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF ERECTILE DYSFUNCTION VIVUS INC (US) 2002-11-04 EP disclosed
EP-1237577-A2 TRANSMUCOSAL COMPOSITION CONTAINING A PHOSPHODIESTERASE INHIBITOR FOR THE TREATMENT OF ERECTILE DYSFUNCTION Vivus, Inc. (US) 2002-09-11 EP disclosed
WO-2002017927-A1 METHOD FOR TREATING ERECTILE DYSFUNCTION AND INCREASING LIBIDO IN MEN UNIMED PHARMACEUTICALS, INC. (US) 2002-03-07 WO disclosed
WO-2001070211-A2 L-ARGININE AND PHOSPHODIESTERASE (PDE) INHIBITOR SYNERGISM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-09-27 WO disclosed
WO-2001041807-A2 TRANSMUCOSAL COMPOSITION CONTAINING A PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF ERECTILE DYSFUNCTION VIVUS, INC. (US) 2001-06-14 WO disclosed
EP-1027054-A1 LOCAL ADMINISTRATION OF PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF ERECTILE DYSFUNCTION Vivus, Inc. (US) 2000-08-16 EP disclosed
WO-1999021558-A2 LOCAL ADMINISTRATION OF PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF ERECTILE DYSFUNCTION VIVUS, INC. (US) 1999-05-06 WO disclosed