SCHEMBL149749

SCHEMBL149749

Nc1c(Cl)ccc2nc(N3CCC(C(=O)O)CC3)nc(Cc3ccc4c(c3)OCO4)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.57
PDE4B Q07343 2/20 0.57
PDE4C Q08493 2/20 0.57
PDE4D Q08499 2/20 0.57
PDE5A O76074 2/20 0.50
PDE2A O00408 1/20 0.49
PDE1A P54750 1/20 0.49
PDE1B Q01064 1/20 0.49
PDE1C Q14123 1/20 0.49
KDM4E B2RXH2 3/20 0.44
RXFP1 Q9HBX9 1/20 0.42
LMNA P02545 1/20 0.41
HPGD P15428 2/20 0.40
TRAP1 Q12931 1/20 0.40
LTB4R Q15722 1/20 0.39
HSP90AB1 P08238 4/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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 SCHEMBL28844121 0.99 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7794732 0.93 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL2232147 0.92 PDE5A (0.58) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7796197 0.89 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7796503 0.89 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7794556 0.89 ALDH1A1 (0.46) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL5958056 0.87 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8863081 0.87 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL29801535 0.86 LTB4R (0.43) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL27379808 0.86 LTB4R (0.43) PDE4APDE4BPDE4CPDE4DPDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217049-B2 Use of type V phosphodiesterase inhibitors in the treatment of exercise induced pulmonary hemorrhage in the equine ANOXA CORP. (US) 2012-07-10 US claimed
EP-2051759-A1 USE OF TYPE V PHOSPHODIESTERASE INHIBITORS IN THE TREATMENT OF EXERCISE INDUCED PULMONARY HEMORRHAGE IN THE EQUINE Perry, Bryan J. (US) 2009-04-29 EP claimed
WO-2007130427-A1 USE OF TYPE V PHOSPHODIESTERASE INHIBITORS IN THE TREATMENT OF EXERCISE INDUCED PULMONARY HEMORRHAGE IN THE EQUINE PERRY BRYAN J (US) 2007-11-15 WO claimed
US-20070254885-A1 Use of type V phosphodiesterase inhibitors in the treatment of exercise induced pulmonary hemorrhage in the equine Scalise, Michael Frank (US) 2007-11-01 US claimed
EP-1418896-A2 ADMINISTRATION OF PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF PREMATURE EJACULATION Vivus, Inc. (US) 2004-05-19 EP claimed
US-20030070674-A1 Use of aerosolized compounds in the treatment of exercise induced pulmonary hemorrhage in an equine PULMONOX TECHNOLOGIES CORPORATION (CA) 2003-04-17 US claimed
WO-2003000343-A2 ADMINISTRATION OF PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF PREMATURE EJACULATION VIVUS, INC. (US) 2003-01-03 WO claimed
US-6469016-B1 VAGINAL, VULVAR AND/OR URETHRAL ADMINISTRATION OF A PHARMACEUTICAL FORMULATION CONTAINING A VASOACTIVE AGENT TO INCREASE VAGINAL LUBRICATION VIVUS, INC. 2002-10-22 US claimed
US-20010031760-A1 Method of treating a patient having precancerous lesions with quinazoline derivatives PAMUKCU RIFAT (US) 2001-10-18 US claimed
US-6262059-B1 Method of treating a patient having precancerous lesions with quinazoline derivatives CELL PATHWAYS, INC. 2001-07-17 US claimed
US-5765548-A Use of nitric oxide in the treatment of exercised induced pulmonary hemorrhaging in equine ANOXA CORP. 1998-06-16 US claimed
WO-1997041912-A1 USE OF NITRIC OXIDE IN THE TREATMENT OF EXERCISED INDUCED PULMONARY HEMORRHAGING IN EQUINE PERRY BRYAN J (US) 1997-11-13 WO claimed
US-20150250801-A1 ANDROGEN PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING DEPRESSION BESINS HEALTHCARE LUXEMBOURG SARL (LU) 2015-09-10 US disclosed
US-20150119399-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2015-04-30 US disclosed
US-20140142077-A1 ANDROGEN PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING DEPRESSION LABORATORIES BESINS INTERNATIONAL, SAS (FR) 2014-05-22 US disclosed
US-20120283260-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ASTELLAS PHARMA INC. (JP) 2012-11-08 US disclosed
EP-1027057-A1 TREATMENT OF FEMALE SEXUAL DYSFUNCTION Asivi, LLC (US) 2000-08-16 EP disclosed
US-6037346-A Local administration of phosphodiesterase inhibitors for the treatment of erectile dysfunction VIVUS, INC. (US) 2000-03-14 US disclosed
WO-1999021562-A1 TREATMENT OF FEMALE SEXUAL DYSFUNCTION ASIVI, LLC (US) 1999-05-06 WO disclosed
WO-1997041912-A1 USE OF NITRIC OXIDE IN THE TREATMENT OF EXERCISED INDUCED PULMONARY HEMORRHAGING IN EQUINE PERRY BRYAN J (US) 1997-11-13 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 (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-20120283260-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA BDKRB2, BDKRB1, PTGIR PDE4A 390/4885PDE4B 649/4885PDE4C 758/4885
US-20150119399-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE IAPP, GPR119, PCNA PDE4A 1173/4885PDE4B 1204/4885PDE4C 1042/4885
US-20010031760-A1 Method of treating a patient having precancerous lesions with quinazoline derivatives MKI67, PCNA, NQO2 PDE4A 1596/4885PDE4B 1852/4885PDE4C 2100/4885

“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.