SCHEMBL7652832

SCHEMBL7652832

Cc1cccc(-n2nc(-c3ccccc3)[nH]c2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.51
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
ADORA3 P0DMS8 2/20 0.46
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
KMT2A Q03164 2/20 0.44
GAA P10253 2/20 0.44
ADORA1 P30542 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
TP53 P04637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL7650664 0.85 ADORA3 (0.44) RPA1RAB9ANPC1ADORA3ALDH1A1
SCHEMBL7656709 0.84 NPC1 (0.48) RAB9ANPC1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL7652937 0.84 TNKS (0.47) RAB9ANPC1ADORA3ALDH1A1L3MBTL1
SCHEMBL7652506 0.84 TNKS (0.50) RAB9ANPC1ADORA3ALDH1A1SMN1; SMN2
SCHEMBL7656031 0.83 L3MBTL1 (0.58) RAB9ANPC1ADORA3ALDH1A1L3MBTL1
SCHEMBL7655377 0.83 ADORA3 (0.46) ADORA3ALDH1A1KMT2AGAAADORA1
SCHEMBL16590395 0.82 MGLL (0.44) RAB9ANPC1ADORA3L3MBTL1SMN1; SMN2
SCHEMBL7649183 0.79 CDK4 (0.43) RAB9ANPC1ADORA3ALDH1A1L3MBTL1
SCHEMBL7656767 0.77 GAA (0.54) RPA1ALDH1A1L3MBTL1GAATP53
SCHEMBL16590383 0.77 ABL1 (0.36) RPA1RAB9ANPC1ADORA3ALDH1A1

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 RPA1 1520/4885RAB9A 2795/4885NPC1 366/4885

“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.