SCHEMBL884596

SCHEMBL884596

CCOC(=O)C(=[N+]=[N-])C(=O)c1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.42
ELANE P08246 1/20 0.42
PARP1 P09874 1/20 0.41
KDM4E B2RXH2 1/20 0.40
THRB P10828 1/20 0.40
CYP3A4 P08684 1/20 0.39
GRM5 P41594 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
SCHEMBL9954776 0.84 CES2 (0.61) CES2CES1LMNASMN1; SMN2POLB
SCHEMBL884443 0.83 ALDH1A1 (0.59) CES2CES1LMNASMN1; SMN2MAPT
SCHEMBL9451631 0.82 CES2 (0.49) CES2CES1LMNAMAPTALDH1A1
SCHEMBL14875422 0.82 CES2 (0.46) CES2CES1LMNASMN1; SMN2MAPT
SCHEMBL1437430 0.79 TSHR (0.38) CES2CES1LMNASMN1; SMN2TDP1
SCHEMBL28349714 0.78 CES2 (0.50) CES2CES1SMN1; SMN2MAPTALDH1A1
SCHEMBL28353412 0.77 CES2 (0.47) CES2CES1LMNASMN1; SMN2POLB
SCHEMBL1339641 0.77 CES2 (0.51) CES2CES1LMNASMN1; SMN2POLB
SCHEMBL1339638 0.77 CES2 (0.51) CES2CES1LMNASMN1; SMN2POLB
SCHEMBL29697823 0.77 CES2 (0.51) CES2CES1LMNASMN1; SMN2POLB

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
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-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

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 CES2 654/4885CES1 208/4885LMNA 824/4885

“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.