SCHEMBL6356718

SCHEMBL6356718

COc1cccc(-c2nnnn2Cc2ccccc2Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.60
SLC16A3 O15427 14/20 0.52
SLC16A1 P53985 14/20 0.52
MCTS1 Q9ULC4 6/20 0.52
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TP53 P04637 2/20 0.49
GAA P10253 1/20 0.49
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL6360823 0.86 P2RX7 (0.61) P2RX7SLC16A3SLC16A1MAPTLMNA
SCHEMBL6361123 0.82 L3MBTL1 (0.58) P2RX7LMNARAB9A
SCHEMBL6356617 0.81 P2RX7 (0.52) P2RX7SLC16A3SLC16A1MCTS1LMNA
SCHEMBL6362679 0.78 NR1H2 (0.57) P2RX7MAPTLMNATSHRRAB9A
SCHEMBL6361640 0.77 P2RX7 (0.82) P2RX7SLC16A3SLC16A1LMNA
SCHEMBL5815710 0.76 P2RX7 (0.61) P2RX7LMNATSHR
SCHEMBL6362310 0.76 P2RX7 (0.69) P2RX7LMNA
SCHEMBL5809694 0.75 P2RX7 (1.00) P2RX7LMNATP53
SCHEMBL28318860 0.75 SLC16A3 (0.54) SLC16A3SLC16A1MCTS1MAPTTP53
Hydrochloric Acid SCHEMBL6356629 0.75 P2RX7 (0.60) P2RX7LMNATSHR

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 448/4885SLC16A3 1931/4885SLC16A1 1467/4885

“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.