SCHEMBL3835987

SCHEMBL3835987

CCCOc1ccc(S(=O)(=O)N(CC)CC)cc1-c1nc2c(C)nn(CC)c2c(=O)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 12/20 0.60
POLB P06746 2/20 0.52
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KMT2A Q03164 1/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 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
SCHEMBL7543611 0.89 PDE5A (0.54) PDE5AKMT2A
SCHEMBL3836990 0.85 PDE5A (0.48) PDE5AALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL3844228 0.83 PDE5A (0.64) PDE5A
SCHEMBL974265 0.80 PDE5A (0.64) PDE5APOLB
SCHEMBL7237581 0.75 PDE5A (0.74) PDE5APOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL974080 0.75 PDE5A (0.65) PDE5APOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL4607619 0.75 PDE5A (0.59) PDE5APOLB
SCHEMBL975296 0.75 PDE5A (0.61) PDE5APOLB
SCHEMBL13990488 0.75 POLB (0.66) PDE5APOLBALDH1A1KMT2A
SCHEMBL13990470 0.74 POLB (0.89) PDE5APOLBKMT2A

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0793498-B1 BICYCLIC HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF IMPOTENCE PFIZER LTD (GB) 2002-12-11 EP claimed
US-20020128171-A1 Methods for prevention and treatment of gastrointestinal disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-09-12 US claimed
WO-2001078781-A9 METHODS FOR PREVENTION AND TREATMENT OF GASTROINTESTINAL DISORDERS UNIV JOHNS HOPKINS (US) 2002-07-25 WO claimed
US-6100270-A Bicyclic heterocyclic compounds for the treatment of impotence PFIZER INC. (US) 2000-08-08 US claimed
EP-1331950-B1 EX VIVO METHODS AND COMPOSITIONS FOR NUCLEIC ACID DELIVERY UNIV JOHNS HOPKINS (US) 2009-10-14 EP disclosed
US-20070197560-A1 cGMP PDE 5 inhibitors for inhalation in the treatment of sexual dysfunction NAEF RETO 2007-08-23 US disclosed
US-6992070-B2 Methods and compositions for nucleic acid delivery THE JOHNS HOPKINS UNIVERSITY (US) 2006-01-31 US disclosed
US-20050004222-A1 Methods for prevention and treatment of gastrointestinal disorders JOHNS HOPKINS UNIVERSITY 2005-01-06 US disclosed
US-20040214831-A1 cGMP PDE 5 inhibitors for inhalation in the treatment of sexual dysfunction NAEF RETO 2004-10-28 US disclosed
US-6774128-B2 ADMINISTERING TO THE MAMMAL A THERAPEUTICALLY EFFECTIVE AMOUNT OF A COMPOUND THAT INCREASES NITRIC OXIDE (NO) ACTIVITY AS MEASURED IN A STANDARD GASTRIC EMPTYING ASSAY JOHNS HOPKINS UNIVERSITY 2004-08-10 US disclosed
US-6534511-B1 The use of certain 6-arylpyrazolo(3,4-d)pyrimidin-4-ones, 2 arylquinazolin-4-ones, 2-arylpurin-6-ones and 2-arylpyrido(3,2- d)pyrimidin-4-ones, or a pharmaceutically acceptable salt thereof, forsexual disorders PFIZER INC. 2003-03-18 US disclosed
WO-2002030470-A9 METHODS AND COMPOSITIONS FOR NUCLEIC ACID DELIVERY UNIV JOHNS HOPKINS (US) 2003-02-06 WO disclosed
EP-0793498-B1 BICYCLIC HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF IMPOTENCE PFIZER LTD (GB) 2002-12-11 EP disclosed
US-20020128171-A1 Methods for prevention and treatment of gastrointestinal disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-09-12 US disclosed
US-20020094326-A1 Methods and compositions for nucleic acid delivery JOHNS HOPKINS UNIVERSITY 2002-07-18 US disclosed
US-20010055570-A1 Cyclic guanosine 3',5'-monophosphate phosphodiesterases (cGMP PDEs); using specified pyrazolopyrimidinone or aminoquinazoline derivatives NAEF RETO (CH) 2001-12-27 US disclosed
US-6225315-B1 ADMINISTERING A CGMP PDE INHIBITOR. PFIZER INC 2001-05-01 US disclosed
US-6100270-A Bicyclic heterocyclic compounds for the treatment of impotence PFIZER INC. (US) 2000-08-08 US disclosed
EP-1022026-A2 Pharmaceutical compositions for treating nitrate-induced tolerance Pfizer Limited (GB) 2000-07-26 EP 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 (3 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-20050004222-A1 Methods for prevention and treatment of gastrointestinal disorders VIP, GIPR, IAPP PDE5A 302/4885POLB 4396/4885ALDH1A1 451/4885
US-20020128171-A1 Methods for prevention and treatment of gastrointestinal disorders VIP, GIPR, IAPP PDE5A 302/4885POLB 4396/4885ALDH1A1 451/4885
US-20020094326-A1 Methods and compositions for nucleic acid delivery TNNC1, TNNI3, TNNT2 PDE5A 2130/4885POLB 282/4885ALDH1A1 3707/4885

“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.