SCHEMBL6356262

SCHEMBL6356262

CCc1cc(CC(OC)c2nnnn2Cc2ccccc2)ccc1OC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.47
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.45
POLB P06746 2/20 0.43
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL6359716 0.90 SLC1A3 (0.51) TSHRALDH1A1KDM4EPOLBMEN1
SCHEMBL6355837 0.84 TSHR (0.41) TSHRALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL6355369 0.74 HTT (0.43) TSHRALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL8582391 0.72 TSHR (0.48) TSHRALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL6356259 0.70 ALDH1A1 (0.47) TSHRALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL4408776 0.67 ALDH1A1 (0.60) TSHRALDH1A1KDM4EPOLBMEN1
SCHEMBL11289342 0.67 CA2 (0.53) ALDH1A1SMN1; SMN2GAALMNAMAPT
SCHEMBL10969069 0.66 ALDH1A1 (0.59) TSHRALDH1A1KDM4EPOLBMEN1
SCHEMBL12141924 0.66 NPSR1 (0.53) TSHRALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL15070935 0.66 ALOX15 (0.50)

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 TSHR 755/4885ALDH1A1 1194/4885SMN1; SMN2 972/4885

“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.