SCHEMBL3842010

SCHEMBL3842010

CCCc1ccnc2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCC(C(=O)O)CC4)ccc3OCC)nc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.63
PDE3B Q13370 3/20 0.56
PDE3A Q14432 3/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC2 Q92769 1/20 0.56
ABCC4 O15439 2/20 0.55
PDE2A O00408 1/20 0.55
ABCC5 O15440 1/20 0.55
PDE6D O43924 1/20 0.55
PDE8A O60658 1/20 0.55
PDE9A O76083 1/20 0.55
ABCB11 O95342 1/20 0.55
CYP3A4 P08684 1/20 0.55
HTR1A P08908 1/20 0.55
PDE6A P16499 1/20 0.55
PDE6G P18545 1/20 0.55
PDE4A P27815 1/20 0.55
ADORA2A P29274 1/20 0.55
ADORA1 P30542 1/20 0.55

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
SCHEMBL5596744 0.93 PDE5A (0.62) PDE5APDE3BPDE3AHDAC1HDAC6
SCHEMBL8149898 0.87 PDE5A (0.70) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL7721640 0.87 PDE5A (0.69) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL6642932 0.87 PDE5A (0.81) PDE5APDE3BPDE3AHDAC1HDAC6
SCHEMBL3840503 0.85 PDE5A (0.72) PDE5APDE3BPDE3AHDAC1HDAC6
SCHEMBL24051300 0.84 PDE5A (0.89) PDE5APDE3BPDE3AHDAC1HDAC6
SCHEMBL7785468 0.81 PDE5A (0.48) PDE5AHDAC1HDAC6HDAC2
SCHEMBL6643877 0.81 PDE5A (0.76) PDE5A
SCHEMBL7721206 0.79 KDM4E (0.66) PDE5APDE3BPDE3AABCC4PDE2A
SCHEMBL6483177 0.79 PDE5A (0.83) PDE5APDE3BPDE3AHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1365806-A2 USE OF NO ACTTIVATORS FOR TREATMENT AND PREVENTION OF GASTROINTESTINAL DISORDERS JOHNS HOPKINS UNIVERSITY (US) 2003-12-03 EP claimed
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
WO-2001078781-A2 METHODS FOR PREVENTION AND TREATMENT OF GASTROINTESTINAL DISORDERS JOHNS HOPKINS UNIVERSITY (US) 2001-10-25 WO claimed
US-6225315-B1 ADMINISTERING A CGMP PDE INHIBITOR. PFIZER INC 2001-05-01 US claimed
EP-1022026-A2 Pharmaceutical compositions for treating nitrate-induced tolerance Pfizer Limited (GB) 2000-07-26 EP claimed
EP-0656898-B1 PYRIDOPYRIMIDINONE ANTIANGINAL AGENTS PFIZER LTD (GB) 1997-01-22 EP claimed
US-5591742-A TREATMENT OF ANGINA, HYPERTENSION, ATHEROSCLEROSIS, CARDIOVASCULAR DISORDERS PFIZER INC. (US) 1997-01-07 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-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
US-6060477-A Method of treating a patient having precancerous lesions with phenyl cycloamino pyrimidinone derivatives CELL PATHWAYS, INC. (US) 2000-05-09 US disclosed
EP-0656898-B1 PYRIDOPYRIMIDINONE ANTIANGINAL AGENTS PFIZER LTD (GB) 1997-01-22 EP disclosed
US-5591742-A TREATMENT OF ANGINA, HYPERTENSION, ATHEROSCLEROSIS, CARDIOVASCULAR DISORDERS PFIZER INC. (US) 1997-01-07 US 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-20050004222-A1 Methods for prevention and treatment of gastrointestinal disorders VIP, GIPR, IAPP PDE5A 302/4885PDE3B 153/4885PDE3A 123/4885
US-20020128171-A1 Methods for prevention and treatment of gastrointestinal disorders VIP, GIPR, IAPP PDE5A 302/4885PDE3B 153/4885PDE3A 123/4885

“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.