SCHEMBL6355200

SCHEMBL6355200

Cc1ccc(-c2nnnn2Cc2ccc(F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
HPGD P15428 1/20 0.55
P2RX7 Q99572 3/20 0.52
POLB P06746 2/20 0.48
HTT P42858 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
SLC2A1 P11166 1/20 0.43

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
SCHEMBL6357229 0.94 ALDH1A1 (0.60) ALDH1A1HPGDP2RX7POLBHTT
SCHEMBL6362505 0.86 P2RX7 (0.70) ALDH1A1HPGDP2RX7POLBHTT
SCHEMBL6357225 0.84 P2RX7 (0.72) ALDH1A1P2RX7POLBHTTL3MBTL1
SCHEMBL6362202 0.84 P2RX7 (0.68) ALDH1A1P2RX7POLBHTTL3MBTL1
SCHEMBL6362599 0.83 CYP11B1 (0.52) ALDH1A1HPGDP2RX7POLBHTT
SCHEMBL31272754 0.81 KMT2A (0.56) ALDH1A1P2RX7POLBHTTL3MBTL1
SCHEMBL6355367 0.81 KMT2A (0.53) ALDH1A1HPGDP2RX7POLBHTT
SCHEMBL6356837 0.79 HTT (0.52) ALDH1A1HPGDP2RX7POLBHTT
SCHEMBL6355055 0.79 ALDH1A1 (0.55) ALDH1A1HPGDP2RX7HTTL3MBTL1
SCHEMBL6356353 0.78 P2RX7 (0.49) ALDH1A1HPGDP2RX7POLBHTT

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 ALDH1A1 1194/4885HPGD 586/4885P2RX7 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.