SCHEMBL6360978

SCHEMBL6360978

OCc1ccccc1-c1nnnn1Cc1c(F)cccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.58
KCNN4 O15554 3/20 0.51
KMT2A Q03164 1/20 0.46
TRPA1 O75762 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL6355968 0.88 P2RX7 (0.67) P2RX7KCNN4KMT2ATRPA1SIGMAR1
SCHEMBL6356646 0.86 P2RX7 (0.61) P2RX7KCNN4KMT2ATRPA1SIGMAR1
SCHEMBL6357910 0.85 P2RX7 (0.60) P2RX7KCNN4KMT2ATRPA1SIGMAR1
SCHEMBL6356890 0.84 P2RX7 (0.62) P2RX7KCNN4KMT2ATRPA1SIGMAR1
SCHEMBL6354523 0.84 P2RX7 (0.82) P2RX7KMT2ATRPA1SIGMAR1ALDH1A1
SCHEMBL6362616 0.84 P2RX7 (0.64) P2RX7KCNN4TRPA1SIGMAR1ALDH1A1
SCHEMBL6357202 0.83 P2RX7 (0.61) P2RX7KCNN4KMT2ATRPA1SIGMAR1
Hydrochloric Acid SCHEMBL6361015 0.82 P2RX7 (0.60) P2RX7KCNN4KMT2ATRPA1SIGMAR1
SCHEMBL6361666 0.81 P2RX7 (0.58) P2RX7KCNN4KMT2ATRPA1SIGMAR1
SCHEMBL6358726 0.81 P2RX7 (0.61) P2RX7KCNN4KMT2AALDH1A1

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 448/4885KCNN4 868/4885KMT2A 1711/4885

“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.