SCHEMBL6356252

SCHEMBL6356252

Fc1ccc(Cn2nnnc2-c2cc(Cl)ccc2Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.66
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TRPA1 O75762 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
GRM2 Q14416 4/20 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
SCHEMBL6362555 0.90 P2RX7 (0.54) P2RX7HTTL3MBTL1ALDH1A1TRPA1
SCHEMBL6357648 0.86 P2RX7 (0.77) P2RX7HTTL3MBTL1KMT2AALDH1A1
SCHEMBL6355213 0.86 P2RX7 (0.56) P2RX7KMT2AALDH1A1NPSR1GRM2
SCHEMBL6358951 0.86 P2RX7 (0.56) P2RX7HTTL3MBTL1ALDH1A1
SCHEMBL6362163 0.85 GRM2 (0.53) P2RX7HTTL3MBTL1ALDH1A1TRPA1
SCHEMBL6357198 0.81 P2RX7 (0.51) P2RX7HTTL3MBTL1
SCHEMBL5815008 0.80 P2RX7 (1.00) P2RX7TRPA1SIGMAR1
SCHEMBL6356231 0.80 P2RX7 (0.58) P2RX7HTTL3MBTL1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL5816009 0.79 P2RX7 (0.98) P2RX7TRPA1SIGMAR1
SCHEMBL6356869 0.78 P2RX7 (0.78) P2RX7ALDH1A1TRPA1SIGMAR1

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.