SCHEMBL6721585

SCHEMBL6721585

CCC(OCc1ccccc1OC)Oc1ccc(I)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.38
APP P05067 1/20 0.35
SLC6A2 P23975 5/20 0.34
SLC6A4 P31645 5/20 0.34
SLC6A3 Q01959 4/20 0.34
MAPT P10636 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
NPC1 O15118 2/20 0.34
HPGD P15428 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL6719670 0.89 IDO1 (0.41) IDO1APPSLC6A2SLC6A4SLC6A3
SCHEMBL6720002 0.87 IDO1 (0.39) IDO1APPSLC6A2SLC6A4SLC6A3
SCHEMBL6717128 0.86 SLC6A4 (0.42) IDO1APPSLC6A2SLC6A4SLC6A3
SCHEMBL6728445 0.82 KDM4E (0.41) IDO1HPGDMEN1KMT2ACYP2C9
SCHEMBL6721773 0.81 IDO1 (0.43) IDO1APPSLC6A4MAPTL3MBTL1
SCHEMBL6717622 0.77 IDO1 (0.39) IDO1APPSLC6A2SLC6A4L3MBTL1
SCHEMBL6717436 0.73 MAPT (0.52) IDO1APPMAPTL3MBTL1NPC1
SCHEMBL1476958 0.69 GAA (0.43) IDO1MAPTL3MBTL1NPC1HPGD
SCHEMBL11230270 0.67 IDO1 (0.55) IDO1MAPTL3MBTL1MEN1LMNA
SCHEMBL9735487 0.67 NPC1 (0.37) IDO1SLC6A2SLC6A4SLC6A3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 US disclosed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 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-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 IDO1 4197/4885APP 1385/4885SLC6A2 1310/4885

“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.