SCHEMBL6357960

SCHEMBL6357960

Nc1ccccc1-c1nnnn1Cc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.65
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 1/20 0.55
TRPA1 O75762 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
LMNA P02545 1/20 0.49

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
SCHEMBL5815858 0.83 P2RX7 (0.81) P2RX7KMT2AALDH1A1TRPA1SIGMAR1
SCHEMBL5813523 0.81 P2RX7 (0.65) P2RX7KMT2AALDH1A1TRPA1SIGMAR1
SCHEMBL12500994 0.81 P2RX7 (0.54) P2RX7KMT2AALDH1A1LMNA
SCHEMBL5815057 0.79 P2RX7 (0.74) P2RX7KMT2AALDH1A1TRPA1SIGMAR1
SCHEMBL6360839 0.79 P2RX7 (0.62) P2RX7KMT2AALDH1A1TRPA1SIGMAR1
SCHEMBL5816280 0.79 P2RX7 (1.00) P2RX7TRPA1SIGMAR1
SCHEMBL4403732 0.78 P2RX7 (0.81) P2RX7KMT2AALDH1A1LMNA
SCHEMBL27541265 0.78 P2RX7 (0.70) P2RX7KMT2AALDH1A1LMNA
SCHEMBL2163180 0.78 LMNA (0.59) P2RX7KMT2AALDH1A1LMNA
SCHEMBL1648155 0.78 P2RX7 (0.60) P2RX7KMT2AALDH1A1TRPA1SIGMAR1

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 448/4885KMT2A 1711/4885ALDH1A1 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.