SCHEMBL6354969

SCHEMBL6354969

CN(C)c1cccc(Cn2nnnc2-c2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.57
POLB P06746 3/20 0.53
LMNA P02545 1/20 0.52
HTT P42858 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HDAC6 Q9UBN7 1/20 0.48
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 1/20 0.45
HSD11B1 P28845 1/20 0.41

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 0.81 P2RX7 (0.81) P2RX7POLBLMNAHTTL3MBTL1
SCHEMBL6362679 0.79 NR1H2 (0.57) P2RX7POLBLMNAHTTL3MBTL1
SCHEMBL6356617 0.78 P2RX7 (0.52) P2RX7POLBLMNAL3MBTL1ALDH1A1
SCHEMBL6357225 0.76 P2RX7 (0.72) P2RX7POLBLMNAHTTL3MBTL1
SCHEMBL6362202 0.76 P2RX7 (0.68) P2RX7POLBLMNAHTTL3MBTL1
SCHEMBL5813964 0.74 P2RX7 (0.61) P2RX7POLBLMNAHTTL3MBTL1
SCHEMBL5815172 0.74 P2RX7 (0.61) P2RX7POLBLMNAHTTL3MBTL1
SCHEMBL6357253 0.74 POLB (0.78) P2RX7POLBLMNAHTTL3MBTL1
SCHEMBL12172999 0.74 ALDH1A1 (0.60) P2RX7POLBLMNAHTTL3MBTL1
SCHEMBL5820209 0.73 P2RX7 (0.72) P2RX7POLBLMNAHTTL3MBTL1

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 1411/4885LMNA 1197/4885

“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.