SCHEMBL7654345

SCHEMBL7654345

O=c1[nH]c(-c2ccccc2)nn1-c1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
MGLL Q99685 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BTK Q06187 1/20 0.39
HCAR1 Q9BXC0 5/20 0.38
TNKS O95271 2/20 0.38
TNKS2 Q9H2K2 2/20 0.38
PARP1 P09874 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL7650490 0.81 MAPK11 (0.40) MGLLBTKHCAR1TNKSTNKS2
SCHEMBL7652867 0.81 ALDH1A1 (0.48) GAAMGLLKMT2ABTKHCAR1
SCHEMBL7652334 0.81 HCAR1 (0.39) MGLLBTKHCAR1TNKSTNKS2
SCHEMBL7654102 0.80 ADORA2B (0.41) MGLLMEN1KMT2ABTKHCAR1
SCHEMBL7650664 0.78 ADORA3 (0.44) MEN1KMT2ABTKTNKSTNKS2
SCHEMBL7657329 0.78 ADORA3 (0.54) GAAMGLLHCAR1TNKSTNKS2
SCHEMBL6658181 0.78 ADORA3 (0.48) MGLLMEN1KMT2AHCAR1TNKS2
SCHEMBL9120934 0.75 MEN1 (0.39) MGLLMEN1KMT2AHCAR1KDM4E
SCHEMBL7655377 0.75 ADORA3 (0.46) GAAMGLLKMT2AMAPTADORA3
SCHEMBL7651289 0.74 MAPT (0.44) GAAMEN1KMT2ATNKSTNKS2

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 GAA 189/4885MGLL 4482/4885MEN1 3193/4885

“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.