SCHEMBL885703

SCHEMBL885703

O=C(O)c1[nH]c(=O)n(-c2ccccc2)c1C1CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.50
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
LIPG Q9Y5X9 2/20 0.44
GAA P10253 3/20 0.41
GSK3B P49841 2/20 0.41
GSK3A P49840 1/20 0.41
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NTRK1 P04629 1/20 0.38
IGF1R P08069 1/20 0.38
FGFR1 P11362 1/20 0.38
NTRK3 Q16288 1/20 0.38
NTRK2 Q16620 1/20 0.38
TSHR P16473 2/20 0.38
MAPK10 P53779 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL885738 0.83 ALDH1A1 (0.41) MAT2AKEAP1NFE2L2LIPGGAA
SCHEMBL2062901 0.82 SIGMAR1 (0.47) MAT2AGAAALDH1A1LMNAMEN1
SCHEMBL885756 0.82 MAT2A (0.50) MAT2AGAAALDH1A1LMNAMEN1
SCHEMBL886271 0.75 MAT2A (0.39) MAT2ALIPGGAAGSK3BGSK3A
SCHEMBL8176227 0.75 TP53 (0.52) LMNARXFP1
SCHEMBL885949 0.73 GSK3B (0.44) GAAGSK3BGSK3AALDH1A1LMNA
SCHEMBL10964773 0.72 GSK3B (0.43) GAAGSK3BGSK3AALDH1A1LMNA
SCHEMBL11158775 0.72 MEN1 (0.46) MAT2AGAAGSK3BGSK3AALDH1A1
SCHEMBL11161558 0.72 GSK3B (0.43) GAAGSK3BGSK3AALDH1A1LMNA
Water SCHEMBL10965947 0.71 GAA (0.42) GAAGSK3BGSK3AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 WO claimed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 WO disclosed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 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 (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-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT MAT2A 2878/4885KEAP1 982/4885NFE2L2 3688/4885

“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.