SCHEMBL6355840

SCHEMBL6355840

Fc1ccc(F)c(Cn2nnnc2-c2ccccc2Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 15/20 0.54
ALDH1A1 P00352 1/20 0.52
HSD11B1 P28845 1/20 0.50
KCNN4 O15554 2/20 0.44
TRPA1 O75762 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
RORC P51449 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
SCHEMBL6358951 0.88 P2RX7 (0.56) P2RX7ALDH1A1RORC
SCHEMBL5813903 0.81 P2RX7 (0.67) P2RX7ALDH1A1TRPA1SIGMAR1
SCHEMBL6356814 0.81 P2RX7 (0.56) P2RX7ALDH1A1TRPA1SIGMAR1
SCHEMBL5815409 0.81 POLB (0.56) P2RX7ALDH1A1TRPA1SIGMAR1
SCHEMBL6362616 0.79 P2RX7 (0.64) P2RX7ALDH1A1KCNN4TRPA1SIGMAR1
SCHEMBL6358904 0.79 P2RX7 (0.65) P2RX7TRPA1SIGMAR1
SCHEMBL5812970 0.79 P2RX7 (0.75) P2RX7KCNN4TRPA1SIGMAR1
SCHEMBL6355968 0.78 P2RX7 (0.67) P2RX7ALDH1A1KCNN4TRPA1SIGMAR1
SCHEMBL6356183 0.78 P2RX7 (0.82) P2RX7ALDH1A1HSD11B1TRPA1SIGMAR1
SCHEMBL6355213 0.78 P2RX7 (0.56) P2RX7ALDH1A1

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 1194/4885HSD11B1 511/4885

“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.