SCHEMBL6357225

SCHEMBL6357225

Cc1ccc(-c2nnnn2Cc2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.72
ALDH1A1 P00352 4/20 0.56
KMT2A Q03164 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
LMNA P02545 1/20 0.54
HTT P42858 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP19A1 P11511 1/20 0.52
POLB P06746 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NPC1 O15118 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL6362202 0.94 P2RX7 (0.68) P2RX7ALDH1A1KMT2AHDAC6LMNA
SCHEMBL4403732 0.90 P2RX7 (0.81) P2RX7ALDH1A1KMT2AHDAC6LMNA
SCHEMBL6360839 0.89 P2RX7 (0.62) P2RX7ALDH1A1KMT2AHDAC6LMNA
SCHEMBL5820209 0.87 P2RX7 (0.72) P2RX7ALDH1A1KMT2AHDAC6LMNA
SCHEMBL6357793 0.86 P2RX7 (0.70) P2RX7ALDH1A1KMT2AHDAC6LMNA
SCHEMBL27541265 0.86 P2RX7 (0.70) P2RX7ALDH1A1KMT2AHDAC6LMNA
SCHEMBL6362505 0.86 P2RX7 (0.70) P2RX7ALDH1A1KMT2AHDAC6LMNA
SCHEMBL6361740 0.85 P2RX7 (0.65) P2RX7ALDH1A1KMT2AHDAC6LMNA
SCHEMBL6355200 0.84 ALDH1A1 (0.55) P2RX7ALDH1A1KMT2AHDAC6LMNA
SCHEMBL6357664 0.83 P2RX7 (0.67) P2RX7ALDH1A1KMT2AHDAC6LMNA

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 448/4885ALDH1A1 1194/4885KMT2A 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.