SCHEMBL7652943

SCHEMBL7652943

Cc1cccc(-n2nc(-c3ccccc3)n(C)c2=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.52
ADORA3 P0DMS8 2/20 0.47
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
ADORA1 P30542 2/20 0.46
CTSK P43235 1/20 0.46
ADORA2A P29274 1/20 0.46
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSP90AA1 P07900 1/20 0.45
MGLL Q99685 1/20 0.45
MAPK14 Q16539 1/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 2/20 0.44

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
SCHEMBL7652545 0.88 ADORA3 (0.49) ADORA3ALDH1A1ADORA1ADORA2ANPC1
SCHEMBL7650590 0.87 KDM4E (0.49) ALDH1A1ADORA1ADORA2AIDO1TDO2
SCHEMBL7650966 0.86 ADORA3 (0.45) ADORA3ALDH1A1ADORA1CTSKADORA2A
SCHEMBL7656264 0.85 ALDH1A1 (0.61) ADORA3ALDH1A1L3MBTL1ADORA1ADORA2A
SCHEMBL7658278 0.83 MAPT (0.52) ADORA3ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7657325 0.83 ADORA3 (0.54) ADORA3ALDH1A1ADORA1ADORA2ATP53
SCHEMBL7652922 0.79 CTSK (0.50) RPA1ADORA3ALDH1A1L3MBTL1ADORA1
Dimethylamine SCHEMBL7652927 0.79 MAPK14 (0.50) RPA1ADORA3ALDH1A1L3MBTL1ADORA1
SCHEMBL7655309 0.78 CA1 (0.45) ADORA3ALDH1A1TP53KMT2AMEN1
SCHEMBL7659590 0.77 PPP1CA (0.50) ADORA3ALDH1A1L3MBTL1TP53LMNA

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 6 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
EP-1071671-A2 TRIAZOLONES WITH A NEUROPROTECTIVE ACTION Boehringer Ingelheim Pharma KG (DE) 2001-01-31 EP disclosed
WO-1999054315-A2 TRIAZOLONES WITH A NEUROPROTECTIVE ACTION BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-28 WO 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 RPA1 1520/4885ADORA3 1892/4885ALDH1A1 1654/4885

“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.