SCHEMBL6355300

SCHEMBL6355300

O=C(NCc1ccc(F)cc1C(F)(F)F)c1cc(F)ccc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.55
PPARG P37231 2/20 0.54
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
P2RX7 Q99572 12/20 0.51
NTRK1 P04629 1/20 0.47
ALOX5 P09917 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
SCHEMBL6355022 0.89 EPHX2 (0.53) EPHX2PPARGHDAC3HDAC1HDAC2
SCHEMBL6361826 0.88 P2RX7 (0.51) EPHX2HDAC1HDAC6P2RX7
SCHEMBL6356836 0.83 KDM4E (0.52) EPHX2PPARGHDAC3HDAC1HDAC2
SCHEMBL6356880 0.82 HPGD (0.56) EPHX2PPARGHDAC3HDAC1HDAC2
SCHEMBL6362493 0.81 P2RX7 (0.49) EPHX2PPARGHDAC3HDAC1HDAC2
SCHEMBL5723612 0.81 P2RX7 (0.57) EPHX2PPARGHDAC3HDAC1HDAC2
SCHEMBL6357231 0.79 EPHX2 (0.57) EPHX2PPARGP2RX7ALOX5
SCHEMBL4576232 0.78 P2RX7 (0.55) EPHX2PPARGHDAC3HDAC1HDAC2
SCHEMBL16538118 0.78 P2RX7 (0.57) EPHX2PPARGHDAC3HDAC1HDAC2
SCHEMBL507259 0.78 EPHX2 (0.66) EPHX2PPARGHDAC3HDAC1HDAC2

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 EPHX2 4047/4885PPARG 50/4885HDAC3 658/4885

“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.