SCHEMBL6357664

SCHEMBL6357664

c1ccc(COCc2ccc(-c3nnnn3Cc3ccccc3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.67
HDAC6 Q9UBN7 1/20 0.55
ALDH1A1 P00352 2/20 0.54
HTT P42858 2/20 0.54
POLB P06746 2/20 0.54
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
HSP90AB1 P08238 1/20 0.49
LMNA P02545 1/20 0.47
GHSR Q92847 1/20 0.45
TSHR P16473 1/20 0.44

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
SCHEMBL4403732 0.86 P2RX7 (0.81) P2RX7HDAC6ALDH1A1HTTPOLB
SCHEMBL5820209 0.83 P2RX7 (0.72) P2RX7HDAC6ALDH1A1HTTPOLB
SCHEMBL6357225 0.83 P2RX7 (0.72) P2RX7HDAC6ALDH1A1HTTPOLB
SCHEMBL27541265 0.82 P2RX7 (0.70) P2RX7HDAC6ALDH1A1HTTPOLB
SCHEMBL6357793 0.82 P2RX7 (0.70) P2RX7HDAC6ALDH1A1HTTPOLB
SCHEMBL6362505 0.82 P2RX7 (0.70) P2RX7HDAC6ALDH1A1HTTPOLB
SCHEMBL6361740 0.81 P2RX7 (0.65) P2RX7HDAC6ALDH1A1HTTKMT2A
SCHEMBL6362202 0.80 P2RX7 (0.68) P2RX7HDAC6ALDH1A1HTTPOLB
SCHEMBL28745260 0.78 P2RX7 (0.65) P2RX7HDAC6ALDH1A1HTTPOLB
SCHEMBL6358318 0.78 P2RX7 (0.61) P2RX7HDAC6ALDH1A1HTTPOLB

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 448/4885HDAC6 613/4885ALDH1A1 1194/4885

“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.