SCHEMBL6357904

SCHEMBL6357904

CN(C)c1ccccc1-c1nnnn1Cc1ccccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.61
POLB P06746 1/20 0.45
TRPA1 O75762 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
KCNN4 O15554 1/20 0.43
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 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
SCHEMBL5813903 0.85 P2RX7 (0.67) P2RX7TRPA1SIGMAR1
SCHEMBL5815194 0.81 P2RX7 (0.82) P2RX7TRPA1SIGMAR1
SCHEMBL6361640 0.80 P2RX7 (0.82) P2RX7KCNN4
SCHEMBL6361742 0.80 P2RX7 (0.52) P2RX7POLBMEN1GAAKMT2A
SCHEMBL6356183 0.79 P2RX7 (0.82) P2RX7TRPA1SIGMAR1
SCHEMBL6357754 0.78 P2RX7 (0.68) P2RX7TRPA1SIGMAR1
SCHEMBL6356617 0.77 P2RX7 (0.52) P2RX7POLBMEN1KMT2A
SCHEMBL6361123 0.76 L3MBTL1 (0.58) P2RX7POLB
SCHEMBL5809694 0.76 P2RX7 (1.00) P2RX7KCNN4
SCHEMBL5814515 0.75 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 448/4885POLB 1411/4885TRPA1 708/4885

“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.