SCHEMBL6358346

SCHEMBL6358346

FC(F)(F)c1ccc(Cn2nnnc2-c2ccccc2Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.62
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TRPA1 O75762 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
POLB P06746 1/20 0.50
GRM2 Q14416 1/20 0.49
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HSD11B1 P28845 1/20 0.46

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
SCHEMBL5815071 0.85 P2RX7 (0.69) P2RX7HTTL3MBTL1TRPA1SIGMAR1
SCHEMBL5815858 0.84 P2RX7 (0.81) P2RX7TRPA1SIGMAR1SLC6A2SLC6A4
SCHEMBL5810903 0.83 P2RX7 (0.80) P2RX7TRPA1SIGMAR1
Hydrochloric Acid SCHEMBL6357185 0.82 P2RX7 (0.78) P2RX7TRPA1SIGMAR1
SCHEMBL6356874 0.81 P2RX7 (0.64) P2RX7TRPA1SIGMAR1SLC6A2SLC6A4
SCHEMBL6357205 0.79 P2RX7 (0.62) P2RX7TRPA1SIGMAR1POLB
SCHEMBL5813903 0.77 P2RX7 (0.67) P2RX7TRPA1SIGMAR1SLC6A2SLC6A4
SCHEMBL5808855 0.77 P2RX7 (0.81) P2RX7TRPA1SIGMAR1SLC6A2SLC6A4
SCHEMBL5810224 0.77 P2RX7 (0.63) P2RX7HTTL3MBTL1TRPA1SIGMAR1
SCHEMBL5815069 0.76 P2RX7 (1.00) P2RX7TRPA1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050009812-A1 Remedies for stress diseases comprising mitochondrial benzodiazepine receptor antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-13 US claimed
EP-1438973-A1 REMEDIES FOR STRESS DISEASES COMPRISING MITOCHONDRIAL BENZODIAZEPINE RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-07-21 EP claimed
US-20050009812-A1 Remedies for stress diseases comprising mitochondrial benzodiazepine receptor antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-13 US disclosed
EP-1438973-A1 REMEDIES FOR STRESS DISEASES COMPRISING MITOCHONDRIAL BENZODIAZEPINE RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-07-21 EP 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-20050009812-A1 Remedies for stress diseases comprising mitochondrial benzodiazepine receptor antagonists TFAM, CYP11B2, CYP11B1 P2RX7 448/4885HTT 761/4885L3MBTL1 2120/4885

“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.