SCHEMBL6717128

SCHEMBL6717128

CCC(OCc1ccccc1OC)Oc1ccc(I)cc1F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.42
IDO1 P14902 2/20 0.38
PARP14 Q460N5 1/20 0.37
PARP10 Q53GL7 1/20 0.37
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
APP P05067 1/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
ABCB1 P08183 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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) SLC6A4IDO1ALDH1A1L3MBTL1TAAR1
SCHEMBL6717622 0.87 IDO1 (0.39) SLC6A4IDO1PARP14PARP10ALDH1A1
SCHEMBL6720002 0.87 IDO1 (0.39) SLC6A4IDO1ALDH1A1L3MBTL1TAAR1
SCHEMBL6721585 0.86 IDO1 (0.38) SLC6A4IDO1ALDH1A1L3MBTL1APP
SCHEMBL6728445 0.82 KDM4E (0.41) IDO1PARP14PARP10ALDH1A1MEN1
SCHEMBL6721773 0.81 IDO1 (0.43) SLC6A4IDO1PARP14PARP10ALDH1A1
SCHEMBL6717134 0.73 L3MBTL1 (0.47) IDO1PARP14PARP10ALDH1A1L3MBTL1
SCHEMBL425685 0.69 RAB9A (0.50) SLC6A4ALDH1A1MEN1KMT2ABCHE
SCHEMBL1685765 0.65 CA1 (0.48) SLC6A4ALDH1A1L3MBTL1MEN1POLB
SCHEMBL24460269 0.65 SLC6A4 (0.49) SLC6A4L3MBTL1MEN1HPGDKMT2A

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 SLC6A4 1940/4885IDO1 4197/4885PARP14 1621/4885

“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.