SCHEMBL13789751

SCHEMBL13789751

Cn1c(=O)c2c(nc(NCC3(O)CCCCC3)n2Cc2ccccc2)n(C)c1=O

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.69
PCSK9 Q8NBP7 1/20 0.67
LMNA P02545 5/20 0.65
HTT P42858 4/20 0.65
MAPK1 P28482 2/20 0.65
HSD17B10 Q99714 2/20 0.65
USP2 O75604 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.64
TP53 P04637 3/20 0.63
TSHR P16473 3/20 0.63
THRB P10828 1/20 0.60
NPSR1 Q6W5P4 1/20 0.59
ALDH1A1 P00352 2/20 0.57
ALOX15 P16050 1/20 0.57
RAB9A P51151 2/20 0.57
HIF1A Q16665 1/20 0.57

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
SCHEMBL13789842 0.81 PCSK9 (0.65) MAPTPCSK9LMNAHTTMAPK1
SCHEMBL12604460 0.80 PCSK9 (1.00) MAPTPCSK9LMNAHTTMAPK1
SCHEMBL7438053 0.80 MAPT (0.41) MAPTPCSK9LMNAHTTMAPK1
SCHEMBL12604422 0.79 MAPT (1.00) MAPTPCSK9LMNAHTTMAPK1
SCHEMBL13789710 0.78 MAPK1 (1.00) MAPTPCSK9LMNAHTTMAPK1
SCHEMBL18991478 0.77 MAPT (0.52) MAPTLMNAHTTMAPK1USP2
SCHEMBL18990271 0.77 MAPT (0.66) MAPTLMNAHTTUSP2SMN1; SMN2
SCHEMBL13789803 0.76 MAPK1 (0.98) MAPTPCSK9LMNAHTTMAPK1
SCHEMBL7440073 0.76 GAA (0.47) MAPTPCSK9HTTMAPK1HSD17B10
SCHEMBL31575414 0.75 RAB9A (0.78) MAPTPCSK9LMNAHTTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149480-A1 METHODS OF USING PDE V INHIBITORS FOR THE TREATMENT OF CONGESTIVE HEART FAILURE SCHERING CORPORATION 2009-06-11 US disclosed
US-20090149480-A1 METHODS OF USING PDE V INHIBITORS FOR THE TREATMENT OF CONGESTIVE HEART FAILURE SCHERING CORPORATION 2009-06-11 US disclosed
US-7531544-B2 Xanthine phosphodiesterase V inhibitors SCHERING CORPORATION (US) 2009-05-12 US disclosed
US-7531544-B2 Xanthine phosphodiesterase V inhibitors SCHERING CORPORATION (US) 2009-05-12 US disclosed
US-20090105282-A1 METHODS OF TREATING BENIGN PROSTATIC HYPERPLASIA OR LOWER URINARY TRACT SYMPTOMS BY USING PDE 5 INHIBITORS SCHERING-PLOUGH CORPORATION 2009-04-23 US disclosed
US-20090105282-A1 METHODS OF TREATING BENIGN PROSTATIC HYPERPLASIA OR LOWER URINARY TRACT SYMPTOMS BY USING PDE 5 INHIBITORS SCHERING-PLOUGH CORPORATION 2009-04-23 US disclosed
US-20080058354-A1 Xanthine Phosphodiesterase V Inhibitors SCHERING CORPORATION 2008-03-06 US disclosed
US-7268141-B2 Xanthine phosphodiesterase V inhibitors SCHERING CORPORATION (US) 2007-09-11 US disclosed
US-7268141-B2 Xanthine phosphodiesterase V inhibitors SCHERING CORPORATION (US) 2007-09-11 US disclosed
US-20070037831-A1 Methods of using PDE 5 inhibitors for the treatment of congestive heart failure SCHERING CORPORATION 2007-02-15 US disclosed
US-20070037831-A1 Methods of using PDE 5 inhibitors for the treatment of congestive heart failure SCHERING CORPORATION 2007-02-15 US disclosed
US-20070004745-A1 Methods of treating benign prostatic hyperplasia or lower urinary tract symptoms by using PDE 5 inhibitors SCHERING-PLOUGH CORPORATION 2007-01-04 US disclosed
US-20070004745-A1 Methods of treating benign prostatic hyperplasia or lower urinary tract symptoms by using PDE 5 inhibitors SCHERING-PLOUGH CORPORATION 2007-01-04 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 (5 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-20070037831-A1 Methods of using PDE 5 inhibitors for the treatment of congestive heart failure PDE5A, PDE3A, PDE3B MAPT 4874/4885PCSK9 185/4885LMNA 2390/4885
US-20070004745-A1 Methods of treating benign prostatic hyperplasia or lower urinary tract symptoms by using PDE 5 inhibitors PDE5A, BPHL, PDE12 MAPT 3172/4885PCSK9 202/4885LMNA 2822/4885
US-20080058354-A1 Xanthine Phosphodiesterase V Inhibitors PDE5A, PDE3B, PDE3A MAPT 3766/4885PCSK9 224/4885LMNA 3505/4885
US-20090105282-A1 METHODS OF TREATING BENIGN PROSTATIC HYPERPLASIA OR LOWER URINARY TRACT SYMPTOMS BY USING PDE 5 INHIBITORS PDE5A, BPHL, PDE12 MAPT 3172/4885PCSK9 202/4885LMNA 2822/4885
US-20090149480-A1 METHODS OF USING PDE V INHIBITORS FOR THE TREATMENT OF CONGESTIVE HEART FAILURE PDE5A, PDE3A, PDE3B MAPT 4875/4885PCSK9 146/4885LMNA 2434/4885

“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.