SCHEMBL6357851

SCHEMBL6357851

O=C(NCc1cc(F)ccc1F)c1cc(Cl)ccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.55
ALDH1A1 P00352 1/20 0.53
HPGD P15428 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
LMNA P02545 1/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
MAPK8 P45983 1/20 0.47
P2RX7 Q99572 1/20 0.46
ERCC1 P07992 1/20 0.46
ERCC4 Q92889 1/20 0.46
MET P08581 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
PTGER4 P35408 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
SCHEMBL6357645 0.89 ALDH1A1 (0.53) ALDH1A1HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL6362508 0.86 HPGD (0.50) CNR1ALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL6356880 0.83 HPGD (0.56) ALDH1A1HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL6361087 0.83 CA1 (0.67) CNR1ALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL6357804 0.82 ALDH1A1 (0.62) ALDH1A1HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL10323293 0.81 PPARG (0.50) CNR1MAPK8METPPARGROCK2
SCHEMBL23675437 0.78 P2RX1 (0.56) LMNAP2RX7ERCC1ERCC4TAS1R3
SCHEMBL23675392 0.78 TAS1R3 (0.62) P2RX7ERCC1ERCC4TAS1R3TAS1R1
SCHEMBL10323294 0.77 KDM4E (0.53) CNR1ALDH1A1HPGDLMNAMET
SCHEMBL6362552 0.77 HPGD (0.57) CNR1ALDH1A1HPGDCYP1A2CYP3A4

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 CNR1 248/4885ALDH1A1 1194/4885HPGD 586/4885

“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.