SCHEMBL6356146

SCHEMBL6356146

Cc1cc(Cn2nnnc2-c2ccc(Br)cc2)c(C)cc1O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
ALDH1A1 P00352 3/20 0.38
P2RX7 Q99572 5/20 0.38
HDAC6 Q9UBN7 1/20 0.37
HPGD P15428 1/20 0.36
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP19A1 P11511 2/20 0.34
HSD11B1 P28845 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL6355356 0.86 POLB (0.64) POLBALDH1A1P2RX7HDAC6HPGD
SCHEMBL6355395 0.79 POLB (0.74) POLBALDH1A1P2RX7HDAC6HPGD
SCHEMBL6357793 0.71 P2RX7 (0.70) POLBALDH1A1P2RX7HDAC6HTT
SCHEMBL4372445 0.68 HSD11B1 (0.49) POLBALDH1A1P2RX7HDAC6HTT
SCHEMBL6848477 0.68 P2RX7 (0.54) POLBALDH1A1P2RX7HDAC6HPGD
SCHEMBL6362432 0.66 POLB (0.74) POLBALDH1A1P2RX7HDAC6HTT
SCHEMBL6357253 0.65 POLB (0.78) POLBALDH1A1P2RX7HDAC6HTT
SCHEMBL6352713 0.64 POLB (1.00) POLBALDH1A1P2RX7HDAC6HTT
SCHEMBL420682 0.64 SMN1; SMN2 (0.52) ALDH1A1HPGDHTTNPC1RAB9A
SCHEMBL4513695 0.64 ALDH1A1 (0.53) POLBALDH1A1P2RX7HPGDHTT

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 POLB 1411/4885ALDH1A1 1194/4885P2RX7 448/4885

“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.