SCHEMBL7656264

SCHEMBL7656264

COc1cccc(-n2nc(-c3ccccc3)n(C)c2=O)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
NPSR1 Q6W5P4 2/20 0.54
KDM4E B2RXH2 3/20 0.53
HPGD P15428 1/20 0.51
ADORA3 P0DMS8 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.49
CYP1A2 P05177 1/20 0.47
MGLL Q99685 1/20 0.47
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL7649140 0.86 TP53 (0.58) ALDH1A1NPSR1KDM4EHPGDADORA3
SCHEMBL7652943 0.85 RPA1 (0.52) ALDH1A1ADORA3ADORA2AADORA1MAPT
SCHEMBL7652545 0.84 ADORA3 (0.49) ALDH1A1HPGDADORA3ADORA2AADORA1
SCHEMBL7650590 0.83 KDM4E (0.49) ALDH1A1KDM4EHPGDADORA2AADORA1
SCHEMBL7650966 0.82 ADORA3 (0.45) ALDH1A1KDM4EHPGDADORA3ADORA2A
SCHEMBL7652889 0.81 CTSK (0.45) ALDH1A1NPSR1KDM4EADORA3ADORA2A
Dimethylamine SCHEMBL7652894 0.80 ALDH1A1 (0.48) ALDH1A1NPSR1KDM4EADORA3ADORA2A
SCHEMBL7657325 0.77 ADORA3 (0.54) ALDH1A1ADORA3ADORA2AADORA1MAPT
SCHEMBL7658278 0.77 MAPT (0.52) ALDH1A1KDM4EHPGDADORA3MAPT
SCHEMBL14981437 0.76 ALDH1A1 (1.00) ALDH1A1NPSR1KDM4EHPGDADORA3

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-6492407-B2 NEUROPROTECTIVE ACTIVITY BOEHRINGER IMGELHEIM PHARMA KG (DE) 2002-12-10 US claimed
US-20020045651-A1 Pharmaceutical compositions containing triazolones and methods of treating neurodegenerative disease using triazolones BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-18 US claimed
US-6492407-B2 NEUROPROTECTIVE ACTIVITY BOEHRINGER IMGELHEIM PHARMA KG (DE) 2002-12-10 US disclosed
US-20020045651-A1 Pharmaceutical compositions containing triazolones and methods of treating neurodegenerative disease using triazolones BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-18 US 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-20020045651-A1 Pharmaceutical compositions containing triazolones and methods of treating neurodegenerative disease using triazolones PARK7, IAPP, HIF1AN ALDH1A1 1654/4885NPSR1 984/4885KDM4E 4634/4885

“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.