SCHEMBL17005447

SCHEMBL17005447

COC(=O)c1ccn(-c2cccc(O)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
TP53 P04637 1/20 0.44
FYN P06241 1/20 0.44
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
OPRM1 P35372 1/20 0.41
CACNA2D1 P54289 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B13 Q7Z5P4 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
SCN9A Q15858 1/20 0.40
HSD17B10 Q99714 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 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
SCHEMBL3854589 0.86 KMT2A (0.56) GAATP53KDM4EALDH1A1HPGD
SCHEMBL23024014 0.86 MEN1 (0.52) GAATP53ALDH1A1HPGDCACNA2D1
SCHEMBL22800294 0.85 CYP1A2 (0.48) GAATP53KDM4EALDH1A1HPGD
SCHEMBL25350324 0.83 TP53 (0.51) GAATP53KDM4EALDH1A1HPGD
SCHEMBL30535672 0.83 TP53 (0.51) GAATP53KDM4EALDH1A1HPGD
SCHEMBL13832650 0.83 GAA (0.66) GAATP53KDM4EALDH1A1KMT2A
SCHEMBL1315787 0.77 CA12 (0.47) GAATP53KDM4EALDH1A1HPGD
SCHEMBL25703615 0.76 IRAK4 (0.46) GAAKDM4EALDH1A1HPGDKMT2A
SCHEMBL9682529 0.76 ALDH1A1 (0.67) GAATP53KDM4EALDH1A1HPGD
SCHEMBL26970951 0.76 GAA (0.49) GAAKDM4EALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2933248-B1 NOVEL RENIN INHIBITOR MITSUBISHI TANABE PHARMA CORP (JP) 2018-01-31 EP disclosed
US-9556159-B2 Renin inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-31 US disclosed
EP-2933248-A1 NOVEL RENIN INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2015-10-21 EP disclosed
US-20150232459-A1 NOVEL RENIN INHIBITOR SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-08-20 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 (1 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-20150232459-A1 NOVEL RENIN INHIBITOR REN, AGTR1, ACE GAA 1408/4885TP53 4827/4885FYN 2085/4885

“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.