SCHEMBL6362679

SCHEMBL6362679

COc1cccc(Cn2nnnc2-c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.57
NR1H3 Q13133 1/20 0.57
P2RX7 Q99572 4/20 0.57
POLB P06746 2/20 0.53
SIGMAR1 Q99720 1/20 0.51
ALDH1A1 P00352 4/20 0.50
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50
HTT P42858 2/20 0.49
HCAR3 P49019 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD11B1 P28845 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CD74 P04233 1/20 0.48
MIF P14174 1/20 0.48

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
SCHEMBL6361740 0.85 P2RX7 (0.65) P2RX7ALDH1A1HTTL3MBTL1MAPT
SCHEMBL6358318 0.85 P2RX7 (0.61) P2RX7POLBALDH1A1GAAPKM
SCHEMBL12172999 0.82 ALDH1A1 (0.60) P2RX7POLBALDH1A1HTTL3MBTL1
SCHEMBL4403732 0.81 P2RX7 (0.81) NR1H3P2RX7POLBALDH1A1GAA
SCHEMBL27573199 0.81 CMA1 (0.51) SIGMAR1ALDH1A1GAAPKMHCAR3
SCHEMBL12775417 0.80 CMA1 (0.48) NR1H2NR1H3POLBSIGMAR1ALDH1A1
SCHEMBL6354969 0.79 P2RX7 (0.57) P2RX7POLBALDH1A1HTTL3MBTL1
SCHEMBL6848898 0.79 P2RX7 (0.53) P2RX7POLBALDH1A1HTTTSHR
SCHEMBL6356718 0.78 P2RX7 (0.60) P2RX7GAAMAPTLMNATSHR
SCHEMBL6357225 0.76 P2RX7 (0.72) P2RX7POLBALDH1A1HTTL3MBTL1

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 NR1H2 179/4885NR1H3 251/4885P2RX7 448/4885

“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.