SCHEMBL6357645

SCHEMBL6357645

O=C(NCc1ccc(F)cc1Cl)c1cc(Cl)ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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 4/20 0.52
MAPT P10636 1/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
MAPK1 P28482 1/20 0.50
NLRP1 Q9C000 1/20 0.50
TSHR P16473 1/20 0.50
EPHX2 P34913 3/20 0.49
ROCK2 O75116 2/20 0.49
ROCK1 Q13464 2/20 0.49
CASP1 P29466 1/20 0.48
HSD11B1 P28845 1/20 0.47
P2RX7 Q99572 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL23675437 0.89 P2RX1 (0.56) LMNAMAPTMAPK1NLRP1TSHR
SCHEMBL6357851 0.89 CNR1 (0.55) ALDH1A1HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL6356880 0.86 HPGD (0.56) ALDH1A1HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL6357659 0.84 TP53 (0.56) ALDH1A1HPGDCYP1A2ROCK2ROCK1
SCHEMBL6361087 0.83 CA1 (0.67) ALDH1A1HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL6357804 0.82 ALDH1A1 (0.62) ALDH1A1HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL6361750 0.80 P2RX7 (0.52) ALDH1A1HPGDCYP2C19LMNAROCK2
SCHEMBL6361826 0.78 P2RX7 (0.51) LMNAMAPTEPHX2ROCK2ROCK1
SCHEMBL23675392 0.78 TAS1R3 (0.62) P2RX7MEN1KMT2A
SCHEMBL23675382 0.78 ERCC1 (0.59) ALDH1A1LMNAMAPK1NLRP1TSHR

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 ALDH1A1 1194/4885HPGD 586/4885CYP1A2 285/4885

“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.