SCHEMBL6717622

SCHEMBL6717622

CCC(OCc1ccccc1OC)Oc1c(F)cc(I)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.39
PARP14 Q460N5 1/20 0.37
PARP10 Q53GL7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
ALDH1A1 P00352 3/20 0.34
ABCB1 P08183 2/20 0.34
APP P05067 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HRH1 P35367 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
HTR2B P41595 1/20 0.33
HTR6 P50406 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL6717128 0.87 SLC6A4 (0.42) IDO1PARP14PARP10L3MBTL1TAAR1
SCHEMBL6719670 0.80 IDO1 (0.41) IDO1L3MBTL1TAAR1ALDH1A1ABCB1
SCHEMBL6721773 0.80 IDO1 (0.43) IDO1PARP14PARP10L3MBTL1TAAR1
SCHEMBL6720002 0.78 IDO1 (0.39) IDO1L3MBTL1TAAR1ALDH1A1ABCB1
SCHEMBL6721585 0.77 IDO1 (0.38) IDO1L3MBTL1ALDH1A1ABCB1APP
SCHEMBL6728445 0.74 KDM4E (0.41) IDO1PARP14PARP10ALDH1A1KDM4E
SCHEMBL6717628 0.72 SMN1; SMN2 (0.43) IDO1PARP14PARP10L3MBTL1ALDH1A1
SCHEMBL12936623 0.66 IDO1 (0.60) IDO1L3MBTL1TAAR1ALDH1A1ABCB1
SCHEMBL6717134 0.64 L3MBTL1 (0.47) IDO1PARP14PARP10L3MBTL1ALDH1A1
SCHEMBL1685765 0.63 CA1 (0.48) L3MBTL1ALDH1A1CYP2D6SLC6A2SLC6A4

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 4197/4885PARP14 1621/4885PARP10 2025/4885

“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.