SCHEMBL169971

SCHEMBL169971

CCCCc1nc2ccc(C(=O)OCC)cc2n1Cc1ccccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
AGTR1 P30556 9/20 0.52
AGTR2 P50052 9/20 0.52
TDP1 Q9NUW8 2/20 0.50
PDE2A O00408 1/20 0.50
PDE10A Q9Y233 1/20 0.50
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL6169187 0.97 AGTR1 (0.52) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL7668569 0.94 TDP1 (0.52) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL7671157 0.92 NPSR1 (0.53) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL7676640 0.90 PDE2A (0.53) KDM4EALDH1A1LMNAHPGDNPSR1
SCHEMBL7676515 0.90 PPARG (0.55) ALDH1A1LMNASMN1; SMN2AGTR1AGTR2
SCHEMBL7671741 0.89 AGTR1 (0.61) AGTR1AGTR2PDE2A
SCHEMBL6170161 0.88 AGTR1 (0.66) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL7670036 0.87 AGTR1 (0.57) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL6168511 0.86 ALOX5AP (0.51) KDM4EALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL6173569 0.86 MAPT (0.52) KDM4EALDH1A1LMNASMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087599-A1 cGMP-PDE inhibitors for the treatment of erectile dysfunction PFIZER INC 2004-05-06 US 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-20010044441-A1 6-heterocyclyl pyrazolo [3,4-d]pyrimidin-4-one cGMP-PDE inhibitors for the treatment of erectile dysfunction CAMPBELL SIMON FRASER (GB) 2001-11-22 US claimed
EP-0793486-A1 cGMP-PDE INHIBITORS FOR THE TREATMENT OF ERECTILE DYSFUNCTION Pfizer Limited (GB) 1997-09-10 EP claimed
WO-1996016644-A1 cGMP-PDE INHIBITORS FOR THE TREATMENT OF ERECTILE DYSFUNCTION PFIZER LIMITED (GB) 1996-06-06 WO claimed
JP-5222000-A None JP disclosed
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
US-20120245134-A1 ANDROGEN PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING DEPRESSION DUDLEY ROBERT E (US) 2012-09-27 US disclosed
US-8263555-B2 Use of bradykinin and related B2R agonists to treat ocular hypertension and glaucoma ALCON RESEARCH, LTD. (US) 2012-09-11 US disclosed
US-6166219-A Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US disclosed
US-6156753-A Local administration of type III phosphodiesterase inhibitors for the treatment of erectile dysfunction VIVUS, INC. (US) 2000-12-05 US disclosed
US-6127363-A FOR TRANSURETHRAL OR TRANSDERMAL ADMINISTRATION OR INTRACAVERNOSAL INJECTION, KITS VIVUS, INC. (US) 2000-10-03 US disclosed
US-6037346-A Local administration of phosphodiesterase inhibitors for the treatment of erectile dysfunction VIVUS, INC. (US) 2000-03-14 US disclosed
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP disclosed
EP-0793486-A1 cGMP-PDE INHIBITORS FOR THE TREATMENT OF ERECTILE DYSFUNCTION Pfizer Limited (GB) 1997-09-10 EP disclosed
WO-1996016644-A1 cGMP-PDE INHIBITORS FOR THE TREATMENT OF ERECTILE DYSFUNCTION PFIZER LIMITED (GB) 1996-06-06 WO disclosed
JP-H05222000-A BENZIMIDAZOL DERIVATIVE AND PRODUCTION THEREOF FUJISAWA PHARMACEUT CO LTD 1993-08-31 JP 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 (4 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 KDM4E 3092/4885ALDH1A1 3886/4885LMNA 1161/4885
US-20040087599-A1 cGMP-PDE inhibitors for the treatment of erectile dysfunction PDE3A, PDE5A, PDE2A KDM4E 892/4885ALDH1A1 412/4885LMNA 2354/4885
US-20150119399-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE IAPP, GPR119, PCNA KDM4E 3682/4885ALDH1A1 4758/4885LMNA 1476/4885
US-20010044441-A1 6-heterocyclyl pyrazolo [3,4-d]pyrimidin-4-one cGMP-PDE inhibitors for the treatment of erectile dysfunction PDE3A, PDE2A, PDE3B KDM4E 850/4885ALDH1A1 565/4885LMNA 2328/4885

“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.