SCHEMBL1961296

SCHEMBL1961296

O=c1c(Cc2cccnc2)cn2c3cc(Br)ccc3c3cc(OCCCO)cc1c32

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.36
GABRA5 P31644 2/20 0.36
FPR1 P21462 1/20 0.34
FPR2 P25090 1/20 0.34
TBXAS1 P24557 1/20 0.33
PTAFR P25105 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
PLA2G7 Q13093 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRNA7 P36544 1/20 0.32
KCNA5 P22460 4/20 0.32
KCNJ5 P48544 2/20 0.32
KCNJ3 P48549 2/20 0.32
LTA4H P09960 2/20 0.32

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
Hydrochloric Acid SCHEMBL6977314 0.99 GABRA1 (0.36) GABRA1GABRA5FPR1FPR2TBXAS1
Sulfuric Acid SCHEMBL6983443 0.97 GABRA1 (0.35) GABRA1GABRA5FPR1FPR2TBXAS1
SCHEMBL7668963 0.97 GABRA1 (0.36) GABRA1GABRA5FPR1FPR2TBXAS1
SCHEMBL7084093 0.95 MCL1 (0.35) GABRA1GABRA5FPR1FPR2TBXAS1
Nitric Acid SCHEMBL6981278 0.95 CYP19A1 (0.35) GABRA1GABRA5FPR1FPR2TBXAS1
Maleic Acid SCHEMBL6982359 0.94 TBXAS1 (0.34) GABRA1GABRA5FPR1FPR2TBXAS1
Fumaric Acid SCHEMBL6982366 0.94 TBXAS1 (0.34) GABRA1GABRA5FPR1FPR2TBXAS1
SCHEMBL6978829 0.93 GABRA1 (0.36) GABRA1GABRA5FPR1FPR2TBXAS1
SCHEMBL7671370 0.92 GABRA1 (0.34) GABRA1GABRA5FPR1FPR2TBXAS1
SCHEMBL7671373 0.92 GABRA1 (0.34) GABRA1GABRA5FPR1FPR2TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179152-A1 Novel use for PDE5 inhibitors NYCOMED GMBH (DE) 2010-07-15 US claimed
EP-1740183-B1 NOVEL USE FOR PDE5 INHIBITORS NYCOMED GMBH (DE) 2009-10-14 EP claimed
US-20070185114-A1 Novel use for pde5 inhibitors ALTANA PHARMA AG (DE) 2007-08-09 US claimed
EP-1461022-A2 USE OF SELECTIVE PDE5 INHIBITORS FOR TREATING PARTIAL AND GLOBAL RESPIRATORY FAILURE ALTANA Pharma AG (DE) 2004-09-29 EP claimed
WO-2003051346-A2 USE OF SELECTIVE PDE5 INHIBITORS FOR TREATING PARTIAL AND GLOBAL RESPIRATORY FAILURE ALTANA PHARMA AG (DE) 2003-06-26 WO claimed
EP-0992240-A1 THERAPEUTIC AGENT FOR ERECTION FAILURE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-04-12 EP claimed
EP-3267986-B1 PDE5 INHIBITORS FOR USE IN REDUCING RENAL CYST SIZE AND/OR PREVENTING RENAL CYST GROWTH UNIV INDIANA RES & TECH CORP (US) 2022-09-14 EP disclosed
CN-107847462-B Targeting cGMP-related phosphodiesterases to reduce cyst formation of cystic kidney disease and related materials and methods 美国印第安纳大学研究和技术公司 2021-08-10 CN disclosed
US-10456404-B2 Targeting cGMP-related phosphodiesterases to reduce cyst formation in cystic kidney disease, and related materials and methods INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2019-10-29 US disclosed
US-20180078559-A1 TARGETING cGMP-RELATED PHOSPHODIESTERASES TO REDUCE CYST FORMATION IN CYSTIC KIDNEY DISEASE, AND RELATED MATERIALS AND METHODS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY COPORATION (US) 2018-03-22 US disclosed
EP-3267986-A1 TARGETING cGMP-RELATED PHOSPHODIESTERASES TO REDUCE CYST FORMATION IN CYSTIC KIDNEY DISEASE, AND RELATED MATERIALS AND METHODS Indiana University Research&Technology Corporation (US) 2018-01-17 EP disclosed
WO-2016149218-A1 TARGETING cGMP-RELATED PHOSPHODIESTERASES TO REDUCE CYST FORMATION IN CYSTIC KIDNEY DISEASE, AND RELATED MATERIALS AND METHODS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-09-22 WO disclosed
US-8329656-B2 Use of a PDE5 inhibitor for treating and preventing hypopigmentary disorders SWITCH BIOTECH AG (DE) 2012-12-11 US disclosed
US-6476021-B1 Compounds having cGMP-PDE inhibitory effect MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-11-05 US disclosed
EP-1136072-A1 PREPARATIONS FOR INTRAURETHRAL ADMINISTRATION MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2001-09-26 EP disclosed
US-6197768-B1 THERAPY, PREVENTION ISCHEMIC HEART DISEASE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2001-03-06 US disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP disclosed
EP-0992240-A1 THERAPEUTIC AGENT FOR ERECTION FAILURE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-04-12 EP disclosed
EP-0985671-A1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed
US-6018046-A SELECTIVE ACTION IN INHIBITING CYCLIC GMP-PHOSPHODIESTERASE (CGMP-PDE); PHARMACEUTICALS FOR TREATING DISEASES AGAINST WHICH THE INHIBITORY ACTION IS EFFECTIVE, SUCH AS PULMONARY HYPERTENSION MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed