SCHEMBL6720004

SCHEMBL6720004

COc1ccccc1COCCCOc1ccc(I)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.42
MAPT P10636 5/20 0.42
HPGD P15428 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
KDM4E B2RXH2 1/20 0.41
IDO1 P14902 2/20 0.41
ANO1 Q5XXA6 2/20 0.41
APP P05067 1/20 0.40
HTR1A P08908 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1B P35368 1/20 0.40
MAPK1 P28482 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
SCHEMBL6719674 0.90 L3MBTL1 (0.46) L3MBTL1MAPTHPGDNPC1RAB9A
SCHEMBL6717134 0.86 L3MBTL1 (0.47) L3MBTL1MAPTHPGDNPC1RAB9A
SCHEMBL6717436 0.86 MAPT (0.52) L3MBTL1MAPTHPGDNPC1RAB9A
SCHEMBL6728447 0.82 NPSR1 (0.50) L3MBTL1MAPTHPGDNPC1RAB9A
SCHEMBL6721777 0.81 MAPT (0.51) L3MBTL1MAPTHPGDIDO1APP
SCHEMBL6721581 0.81 MAPT (0.54) L3MBTL1MAPTHPGDNPC1RAB9A
SCHEMBL6717628 0.77 SMN1; SMN2 (0.43) L3MBTL1MAPTHPGDSMN1; SMN2TDP1
SCHEMBL6728676 0.76 MAPT (0.52) L3MBTL1MAPTHPGDNPC1RAB9A
SCHEMBL1941923 0.74 IDO1 (0.53) L3MBTL1SMN1; SMN2IDO1HTR1AADRA1A
SCHEMBL8193133 0.74 IDO1 (0.53) L3MBTL1IDO1RENHTT

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 L3MBTL1 4859/4885MAPT 3937/4885HPGD 256/4885

“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.