SCHEMBL6356183

SCHEMBL6356183

Cc1ccccc1Cn1nnnc1-c1ccccc1Cl

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 15/20 0.82
IDO1 P14902 1/20 0.49
TDO2 P48775 1/20 0.49
TRPA1 O75762 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD11B1 P28845 1/20 0.45

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
SCHEMBL5814515 0.91 P2RX7 (1.00) P2RX7IDO1TDO2TRPA1SIGMAR1
SCHEMBL5813903 0.90 P2RX7 (0.67) P2RX7TRPA1SIGMAR1ALDH1A1NPC1
SCHEMBL5811097 0.88 P2RX7 (0.77) P2RX7IDO1TDO2TRPA1SIGMAR1
SCHEMBL5815683 0.88 P2RX7 (0.81) P2RX7IDO1TDO2LMNA
SCHEMBL5813093 0.84 P2RX7 (1.00) P2RX7IDO1TDO2TRPA1SIGMAR1
SCHEMBL5815858 0.82 P2RX7 (0.81) P2RX7TRPA1SIGMAR1ALDH1A1NPC1
SCHEMBL5808855 0.81 P2RX7 (0.81) P2RX7TRPA1SIGMAR1ALDH1A1NPC1
SCHEMBL5815409 0.81 POLB (0.56) P2RX7TRPA1SIGMAR1ALDH1A1NPC1
SCHEMBL6356814 0.81 P2RX7 (0.56) P2RX7TRPA1SIGMAR1ALDH1A1NPC1
SCHEMBL5815194 0.80 P2RX7 (0.82) P2RX7TRPA1SIGMAR1

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 448/4885IDO1 2872/4885TDO2 3089/4885

“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.