SCHEMBL5645352

SCHEMBL5645352

O=C(NCc1c(F)cccc1F)c1ccccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.55
ALDH1A1 P00352 2/20 0.55
CYP1A2 P05177 1/20 0.53
MAPK14 Q16539 2/20 0.52
POLB P06746 3/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
ATM Q13315 1/20 0.51
MAPT P10636 2/20 0.49
KMT2A Q03164 1/20 0.49
AGER Q15109 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 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
SCHEMBL6357738 0.95 ATM (0.56) HPGDALDH1A1CYP1A2MAPK14POLB
SCHEMBL5645103 0.89 HPGD (0.62) HPGDALDH1A1CYP1A2POLBNPC1
SCHEMBL5644455 0.88 HPGD (0.52) HPGDALDH1A1CYP1A2MAPK14POLB
SCHEMBL6362683 0.85 ATM (0.55) HPGDATMSMN1; SMN2ROCK2ROCK1
SCHEMBL6362518 0.84 ATM (0.58) HPGDALDH1A1MAPK14NPC1RAB9A
SCHEMBL6363231 0.83 HDAC2 (0.52) HPGDNPC1RAB9AATMKMT2A
SCHEMBL6356671 0.83 L3MBTL1 (0.57) HPGDALDH1A1MAPK14ATMMAPT
SCHEMBL6358381 0.82 ATM (0.50) ATMSMN1; SMN2ROCK2ROCK1
SCHEMBL6362552 0.81 HPGD (0.57) HPGDALDH1A1CYP1A2ATMKMT2A
SCHEMBL6361631 0.81 HPGD (0.54) HPGDALDH1A1CYP1A2POLBATM

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 5 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-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 US disclosed
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 HPGD 586/4885ALDH1A1 1194/4885CYP1A2 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.