SCHEMBL6357728

SCHEMBL6357728

COc1cccc(Cl)c1Cn1nnnc1-c1cccc(Cl)c1Cl

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 17/20 0.76
TRPA1 O75762 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
KCNN4 O15554 1/20 0.46
HSD11B1 P28845 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42

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
SCHEMBL5817555 0.87 P2RX7 (1.00) P2RX7TRPA1SIGMAR1SLC6A2SLC6A4
SCHEMBL5815997 0.87 P2RX7 (0.74) P2RX7TRPA1SIGMAR1KCNN4HSD11B1
SCHEMBL6357093 0.86 P2RX7 (0.73) P2RX7TRPA1SIGMAR1SLC6A2SLC6A4
SCHEMBL6361602 0.83 P2RX7 (0.70) P2RX7TRPA1SIGMAR1SLC6A2SLC6A4
SCHEMBL6358726 0.82 P2RX7 (0.61) P2RX7KCNN4HSD11B1
SCHEMBL6361632 0.81 P2RX7 (0.63) P2RX7TRPA1SIGMAR1
SCHEMBL6354523 0.81 P2RX7 (0.82) P2RX7TRPA1SIGMAR1SLC6A2SLC6A4
SCHEMBL5816280 0.78 P2RX7 (1.00) P2RX7TRPA1SIGMAR1SLC6A2SLC6A4
SCHEMBL6358683 0.78 P2RX7 (0.80) P2RX7TRPA1SIGMAR1SLC6A2SLC6A4
SCHEMBL6361640 0.78 P2RX7 (0.82) P2RX7KCNN4HSD11B1

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 448/4885TRPA1 708/4885SIGMAR1 341/4885

“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.