SCHEMBL6355369

SCHEMBL6355369

CCOc1ccc(CC(OCC)c2nnnn2CCc2ccccc2)cc1CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A1 P43005 1/20 0.43
TSHR P16473 4/20 0.42
ALDH1A1 P00352 5/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40
USP2 O75604 3/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SLC1A2 P43004 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL6355837 0.90 TSHR (0.41) SLC1A3TSHRALDH1A1POLBMEN1
SCHEMBL6359716 0.84 SLC1A3 (0.51) HTTNPSR1SLC1A3SLC1A1TSHR
SCHEMBL6356262 0.74 TSHR (0.47) HTTNPSR1TSHRALDH1A1POLB
SCHEMBL6355368 0.72 ALDH1A1 (0.46) HTTNPSR1TSHRALDH1A1MEN1
SCHEMBL6359711 0.65 ALDH1A1 (0.51) HTTNPSR1SLC1A3SLC1A1TSHR
SCHEMBL6355835 0.65 ALDH1A1 (0.46) TSHRALDH1A1MEN1KMT2AGAA
SCHEMBL8933294 0.64 ALDH1A1 (0.45) HTTNPSR1SLC1A3SLC1A1TSHR
SCHEMBL6601160 0.64 ALDH1A1 (0.45) HTTNPSR1SLC1A3SLC1A1TSHR
SCHEMBL4505335 0.64 ALDH1A1 (0.40) HTTNPSR1SLC1A3SLC1A1TSHR
SCHEMBL2056167 0.63 ALDH1A1 (0.54) TSHRALDH1A1MEN1KMT2AGAA

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 HTT 761/4885NPSR1 292/4885SLC1A3 1050/4885

“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.