SCHEMBL6358381

SCHEMBL6358381

O=C(NCc1c(F)cccc1Cl)c1ccccc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
KLKB1 P03952 4/20 0.49
ROCK2 O75116 3/20 0.49
ROCK1 Q13464 3/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 1/20 0.49
MET P08581 1/20 0.45
THRB P10828 1/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
P2RX7 Q99572 3/20 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
SCHEMBL6357738 0.86 ATM (0.56) ATMROCK2ROCK1METP2RX7
SCHEMBL24094008 0.82 HPGD (0.52) KLKB1LMNAGAASMN1; SMN2
SCHEMBL6362683 0.82 ATM (0.55) ATMKLKB1ROCK2ROCK1LMNA
SCHEMBL5645352 0.82 HPGD (0.55) ATMROCK2ROCK1SMN1; SMN2
SCHEMBL6362518 0.82 ATM (0.58) ATMKLKB1ROCK2ROCK1MET
SCHEMBL6357149 0.81 ATM (0.59) ATMROCK2ROCK1GAAKDM4E
SCHEMBL6363231 0.81 HDAC2 (0.52) ATMROCK2ROCK1MET
SCHEMBL6356671 0.81 L3MBTL1 (0.57) ATMROCK2ROCK1LMNAGAA
SCHEMBL6357078 0.79 ROCK2 (0.64) ATMROCK2ROCK1LMNASMN1; SMN2
SCHEMBL6357789 0.79 ATM (0.52) ATMKLKB1ROCK2ROCK1MET

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 ATM 1912/4885KLKB1 3785/4885ROCK2 3897/4885

“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.