SCHEMBL5021829

SCHEMBL5021829

Cc1ccccc1-n1c(=O)c2cc3c(=O)n(-c4ccccc4C)c(=O)c3cc2c1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
GAA P10253 2/20 0.62
POLB P06746 1/20 0.62
ALDH1A1 P00352 7/20 0.57
LMNA P02545 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.49
MGLL Q99685 1/20 0.48
RAB9A P51151 1/20 0.48
PDE4D Q08499 1/20 0.47
KMT2A Q03164 2/20 0.46
NOTUM Q6P988 1/20 0.46
PKM P14618 2/20 0.46
HTT P42858 2/20 0.46
PDE7A Q13946 1/20 0.44
KLK7 P49862 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
G6PD P11413 1/20 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
SCHEMBL5021831 0.85 POLB (0.47) KDM4EGAAPOLBALDH1A1LMNA
SCHEMBL19397817 0.85 ALDH1A1 (0.57) KDM4EGAAPOLBALDH1A1LMNA
SCHEMBL2696947 0.80 GAA (0.51) KDM4EGAAPOLBLMNAKMT2A
SCHEMBL28113666 0.78 ALDH1A1 (0.56) KDM4EGAAALDH1A1LMNAL3MBTL1
SCHEMBL10823675 0.78 MGLL (0.56) ALDH1A1LMNAL3MBTL1SMN1; SMN2MGLL
SCHEMBL14933444 0.77 ALDH1A1 (0.55) KDM4EGAAALDH1A1LMNAL3MBTL1
SCHEMBL12910285 0.77 POLB (1.00) KDM4EGAAPOLBALDH1A1KMT2A
SCHEMBL28274744 0.73 ALDH1A1 (0.51) KDM4EGAAALDH1A1LMNAL3MBTL1
SCHEMBL22203819 0.73 TDP1 (0.68) KDM4EGAAPOLBALDH1A1LMNA
Methaqualone SCHEMBL20471677 0.73 ALDH1A1 (1.00) GAAPOLBALDH1A1LMNAL3MBTL1

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
EP-2403859-B1 MOLECULAR TWEEZERS FOR THE TREATMENT OF ALZHEIMER'S DISEASE UNIV CALIFORNIA (US) 2017-05-03 EP disclosed
EP-2403859-B1 MOLECULAR TWEEZERS FOR THE TREATMENT OF ALZHEIMER'S DISEASE UNIV CALIFORNIA (US) 2017-05-03 EP disclosed
US-8791092-B2 Molecular tweezers for the treatment of amyloid-related diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-07-29 US disclosed
US-8791092-B2 Molecular tweezers for the treatment of amyloid-related diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-07-29 US disclosed
US-20120108548-A1 MOLECULAR TWEEZERS FOR THE TREATMENT OF AMYLOID-RELATED DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-03 US disclosed
US-20120108548-A1 MOLECULAR TWEEZERS FOR THE TREATMENT OF AMYLOID-RELATED DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-03 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-20120108548-A1 MOLECULAR TWEEZERS FOR THE TREATMENT OF AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 KDM4E 264/4885GAA 2027/4885POLB 4619/4885

“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.