SCHEMBL6356353

SCHEMBL6356353

Fc1ccc(Cn2nnnc2-c2ccsc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.49
ALDH1A1 P00352 5/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 2/20 0.44
TSHR P16473 5/20 0.42
HTT P42858 3/20 0.42
HDAC6 Q9UBN7 2/20 0.41
POLB P06746 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
HDAC3 O15379 1/20 0.39
CYP3A4 P08684 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39

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
SCHEMBL22704870 0.86 P2RX7 (0.67) P2RX7ALDH1A1KMT2AHTTHDAC6
SCHEMBL6357229 0.84 ALDH1A1 (0.60) P2RX7ALDH1A1HPGDKMT2ATSHR
SCHEMBL6355200 0.78 ALDH1A1 (0.55) P2RX7ALDH1A1HPGDKMT2ATSHR
SCHEMBL6362505 0.77 P2RX7 (0.70) P2RX7ALDH1A1HPGDKMT2AHTT
SCHEMBL6362599 0.74 CYP11B1 (0.52) P2RX7ALDH1A1HPGDHTTHDAC6
SCHEMBL6362366 0.74 KMT2A (0.46) P2RX7ALDH1A1HPGDKMT2ATSHR
SCHEMBL29456340 0.72 MAPK8 (0.41) P2RX7ALDH1A1HPGDKMT2AHTT
SCHEMBL6362267 0.72 KMT2A (0.47) P2RX7ALDH1A1HPGDKMT2ATSHR
SCHEMBL6355367 0.72 KMT2A (0.53) P2RX7ALDH1A1HPGDKMT2AHTT
SCHEMBL6357207 0.71 P2RX7 (0.55) P2RX7ALDH1A1KMT2ATSHRHTT

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 448/4885ALDH1A1 1194/4885HPGD 586/4885

“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.