SCHEMBL6355267

SCHEMBL6355267

Cc1ccc(Cn2nnnc2-c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.57
HSD11B1 P28845 6/20 0.49
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
KCNN4 O15554 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL5810224 0.91 P2RX7 (0.63) P2RX7HSD11B1KCNN4POLBHTT
SCHEMBL5816902 0.82 P2RX7 (0.67) P2RX7HSD11B1IDO1TDO2KCNN4
SCHEMBL5802186 0.81 P2RX7 (0.83) P2RX7
SCHEMBL6360839 0.78 P2RX7 (0.62) P2RX7IDO1TDO2
SCHEMBL6361666 0.77 P2RX7 (0.58) P2RX7HSD11B1KCNN4
SCHEMBL6358346 0.76 P2RX7 (0.62) P2RX7HSD11B1POLBHTTL3MBTL1
SCHEMBL6362702 0.76 HSD11B1 (0.58) P2RX7HSD11B1KCNN4
SCHEMBL6362202 0.76 P2RX7 (0.68) P2RX7HSD11B1POLBHTTL3MBTL1
SCHEMBL6848952 0.74 NPC1 (0.53) P2RX7HSD11B1POLBHTTL3MBTL1
SCHEMBL5802163 0.73 P2RX7 (0.67) P2RX7HSD11B1IDO1TDO2KCNN4

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 448/4885HSD11B1 511/4885IDO1 2872/4885

“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.