SCHEMBL6356702

SCHEMBL6356702

O=C(NCc1ccccc1COc1ccccc1)c1cccc(Cl)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
ALDH1A1 P00352 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
P2RX7 Q99572 1/20 0.48
NR4A2 P43354 2/20 0.48
TMEM97 Q5BJF2 2/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
GPR139 Q6DWJ6 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TP53 P04637 1/20 0.45
HTT P42858 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
SCHEMBL6356156 0.82 ALDH1A1 (0.75) MAPK8L3MBTL1ALDH1A1TDP1NPC1
SCHEMBL6357294 0.81 L3MBTL1 (0.55) MAPK8L3MBTL1ALDH1A1TDP1NPC1
SCHEMBL6355282 0.81 L3MBTL1 (0.60) MAPK8L3MBTL1ALDH1A1TDP1NPC1
SCHEMBL6357846 0.81 SGMS2 (0.61) MAPK8L3MBTL1ALDH1A1TDP1NPC1
SCHEMBL6355111 0.80 ALDH1A1 (0.58) MAPK8L3MBTL1ALDH1A1TDP1NPC1
SCHEMBL6355306 0.80 L3MBTL1 (0.74) MAPK8L3MBTL1ALDH1A1TDP1NPC1
SCHEMBL6358813 0.79 MT-CO2 (0.65) MAPK8L3MBTL1ALDH1A1TDP1NPC1
SCHEMBL6356912 0.78 CHRNB2 (0.59) MAPK8L3MBTL1ALDH1A1TDP1P2RX7
SCHEMBL6361006 0.76 L3MBTL1 (0.58) MAPK8L3MBTL1ALDH1A1TDP1NPC1
SCHEMBL6354490 0.76 LMNA (0.74) MAPK8L3MBTL1ALDH1A1TDP1NPC1

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 MAPK8 2878/4885L3MBTL1 2120/4885ALDH1A1 1194/4885

“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.