SCHEMBL6357793

SCHEMBL6357793

Brc1ccc(-c2nnnn2Cc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.70
HDAC6 Q9UBN7 1/20 0.58
NR1H2 P55055 1/20 0.57
NR1H3 Q13133 1/20 0.57
ALDH1A1 P00352 5/20 0.55
KMT2A Q03164 2/20 0.55
HTT P42858 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CYP19A1 P11511 1/20 0.52
GAA P10253 3/20 0.50
MEN1 O00255 1/20 0.50
GALR3 O60755 1/20 0.50
MAPT P10636 1/20 0.50
NPY1R P25929 1/20 0.50
STAT3 P40763 1/20 0.50
NPY2R P49146 1/20 0.50
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
CYP1A2 P05177 2/20 0.48

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
SCHEMBL4403732 0.89 P2RX7 (0.81) P2RX7HDAC6NR1H3ALDH1A1KMT2A
SCHEMBL6357225 0.86 P2RX7 (0.72) P2RX7HDAC6ALDH1A1KMT2AHTT
SCHEMBL5820209 0.86 P2RX7 (0.72) P2RX7HDAC6NR1H2NR1H3ALDH1A1
SCHEMBL27541265 0.84 P2RX7 (0.70) P2RX7HDAC6ALDH1A1KMT2AHTT
SCHEMBL6362505 0.84 P2RX7 (0.70) P2RX7HDAC6ALDH1A1KMT2AHTT
SCHEMBL5813964 0.84 P2RX7 (0.61) P2RX7HDAC6ALDH1A1KMT2AHTT
SCHEMBL6357664 0.82 P2RX7 (0.67) P2RX7HDAC6ALDH1A1KMT2AHTT
SCHEMBL4372445 0.81 HSD11B1 (0.49) P2RX7HDAC6ALDH1A1KMT2AHTT
SCHEMBL6361740 0.81 P2RX7 (0.65) P2RX7HDAC6ALDH1A1KMT2AHTT
SCHEMBL28745260 0.81 P2RX7 (0.65) P2RX7HDAC6ALDH1A1KMT2AHTT

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 448/4885HDAC6 613/4885NR1H2 179/4885

“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.