SCHEMBL6728447

SCHEMBL6728447

COc1ccccc1COCCCOc1ccc(I)cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.50
CYP2C9 P11712 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MAPT P10636 3/20 0.44
HTT P42858 2/20 0.44
HSP90AA1 P07900 2/20 0.44
ALDH1A1 P00352 6/20 0.43
KMT2A Q03164 2/20 0.43
PTK2B Q14289 1/20 0.43
KDM4E B2RXH2 5/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
ASPH Q12797 1/20 0.41
KDM8 Q8N371 1/20 0.41

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
SCHEMBL6721581 0.90 MAPT (0.54) NPSR1CYP2C9NPC1RAB9AMAPT
SCHEMBL6719674 0.84 L3MBTL1 (0.46) NPSR1CYP2C9NPC1RAB9AMAPT
SCHEMBL6720004 0.82 L3MBTL1 (0.42) CYP2C9NPC1RAB9AMAPTHTT
SCHEMBL6717134 0.81 L3MBTL1 (0.47) CYP2C9NPC1RAB9AMAPTALDH1A1
SCHEMBL6717436 0.81 MAPT (0.52) NPSR1CYP2C9NPC1RAB9AMAPT
SCHEMBL6824803 0.78 MAPT (0.62) NPSR1CYP2C9NPC1RAB9AMAPT
SCHEMBL6721777 0.76 MAPT (0.51) MAPTL3MBTL1HPGD
SCHEMBL6728445 0.76 KDM4E (0.41) CYP2C9HTTALDH1A1KMT2AKDM4E
SCHEMBL695301 0.75 L3MBTL1 (0.54) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL13392323 0.75 ALDH1A1 (0.45) NPSR1CYP2C9NPC1RAB9AHTT

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 NPSR1 1166/4885CYP2C9 2250/4885NPC1 1668/4885

“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.