SCHEMBL6359716

SCHEMBL6359716

CCc1cc(CC(OC)c2nnnn2CCc2ccccc2)ccc1OC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.51
SLC1A1 P43005 1/20 0.51
HTT P42858 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 4/20 0.47
LMNA P02545 4/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 3/20 0.45
POLB P06746 2/20 0.44
ALDH1A1 P00352 7/20 0.44
MAPT P10636 3/20 0.44
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6356262 0.90 TSHR (0.47) HTTNPSR1TSHRLMNAKDM4E
SCHEMBL6355369 0.84 HTT (0.43) SLC1A3SLC1A1HTTNPSR1TSHR
SCHEMBL6355837 0.74 TSHR (0.41) SLC1A3TSHRLMNAKDM4EPOLB
SCHEMBL6359711 0.72 ALDH1A1 (0.51) SLC1A3SLC1A1HTTNPSR1TSHR
SCHEMBL29761973 0.67 SLC1A3 (1.00) SLC1A3SLC1A1HTTNPSR1TSHR
SCHEMBL11289342 0.66 CA2 (0.53) LMNAALDH1A1MAPT
SCHEMBL10061253 0.66 SIGMAR1 (0.62) HTTLMNAKDM4EKMT2A
SCHEMBL6601160 0.66 ALDH1A1 (0.45) SLC1A3SLC1A1HTTNPSR1TSHR
SCHEMBL8933294 0.66 ALDH1A1 (0.45) SLC1A3SLC1A1HTTNPSR1TSHR
SCHEMBL6355368 0.65 ALDH1A1 (0.46) HTTNPSR1TSHRKDM4EUSP2

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 SLC1A3 1050/4885SLC1A1 783/4885HTT 761/4885

“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.