SCHEMBL6356852

SCHEMBL6356852

O=C(NCc1c(F)cccc1Cl)C1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.59
EPHX2 P34913 1/20 0.58
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HPGD P15428 2/20 0.50
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
USP2 O75604 1/20 0.49
ATM Q13315 1/20 0.47
MAPT P10636 1/20 0.47
HDAC6 Q9UBN7 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
SCHEMBL6362551 0.99 P2RX7 (0.60) P2RX7EPHX2ALDH1A1SMN1; SMN2HPGD
SCHEMBL2472420 0.93 P2RX7 (0.62) P2RX7EPHX2ALDH1A1SMN1; SMN2KMT2A
Formic Acid SCHEMBL5073761 0.88 P2RX7 (0.58) P2RX7EPHX2ALDH1A1SMN1; SMN2KMT2A
SCHEMBL21438720 0.79 P2RX7 (0.61) P2RX7ALDH1A1HPGDUSP2
SCHEMBL13370423 0.77 NAAA (0.51) EPHX2ALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL4598761 0.77 P2RX7 (0.60) P2RX7EPHX2ALDH1A1SMN1; SMN2HPGD
SCHEMBL13167361 0.76 CYP1A2 (0.60) P2RX7EPHX2ALDH1A1SMN1; SMN2HPGD
SCHEMBL6357149 0.75 ATM (0.59) P2RX7ALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL10019218 0.75 EPHX2 (1.00) EPHX2GAA
SCHEMBL17850366 0.75 ATM (0.45) P2RX7EPHX2ALDH1A1KMT2AGAA

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 P2RX7 448/4885EPHX2 4047/4885ALDH1A1 1194/4885

“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.