SCHEMBL437828

SCHEMBL437828

C=NNC(=O)CN1C(=O)C=CC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.42
GSK3B P49841 2/20 0.42
MGLL Q99685 6/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.35
FAAH O00519 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
BLM P54132 2/20 0.35
LMNA P02545 2/20 0.35
GMNN O75496 1/20 0.35
THPO P40225 1/20 0.35
PMP22 Q01453 1/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
WRN Q14191 1/20 0.35
HIF1A Q16665 1/20 0.35
RAB9A P51151 2/20 0.34
HSP90AA1 P07900 1/20 0.34
TLR9 Q9NR96 1/20 0.34

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
SCHEMBL7049984 0.78 GSK3A (0.50) GSK3AGSK3BMGLLALDH1A1MAPT
SCHEMBL29995038 0.77 GSK3A (0.48) GSK3AGSK3BMGLLALDH1A1MAPT
SCHEMBL16590557 0.77 ALDH1A1 (0.46) GSK3AGSK3BALDH1A1MAPTLMNA
SCHEMBL22923642 0.76 PTGS1 (0.58) GSK3AGSK3BMGLLALDH1A1MAPT
SCHEMBL22281365 0.75 GSK3A (0.47) GSK3AGSK3BMGLLALDH1A1MAPT
SCHEMBL8738193 0.74 GSK3A (0.46) GSK3AGSK3BMGLLALDH1A1MAPT
SCHEMBL437306 0.74 GSK3A (0.50) GSK3AGSK3BMGLLALDH1A1MAPT
SCHEMBL19545832 0.71 GSK3A (0.47) GSK3AGSK3BMGLLALDH1A1MAPT
SCHEMBL3665093 0.71 GSK3A (0.52) GSK3AGSK3BMGLLALDH1A1MAPT
SCHEMBL28353956 0.70 GSK3A (0.50) GSK3AGSK3BMGLLALDH1A1MAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230338564-A1 NEODEGRADER CONJUGATES ORUM THERAPEUTICS, INC. (FR) 2023-10-26 US disclosed
US-20160220694-A1 Vitamin-Receptor Binding Drug Delivery Conjugates ENDOCYTE INC (US) 2016-08-04 US disclosed
US-20140058063-A1 VITAMIN RECEPTOR BINDING DRUG DELIVERY CONJUGATES ENDOCYTE, INC. (US) 2014-02-27 US disclosed
US-20140058064-A1 MULTI-DRUG LIGAND CONJUGATES ENDOCYTE, INC. (US) 2014-02-27 US disclosed
US-20130184435-A1 MULTI-DRUG LIGAND CONJUGATES ENDOCYTE, INC. (US) 2013-07-18 US disclosed
US-8465724-B2 Multi-drug ligand conjugates ENDOCYTE, INC. (US) 2013-06-18 US disclosed
US-20120065149-A1 Vitamin receptor binding drug delivery conjugates VLAHOV IONTCHO R (US) 2012-03-15 US disclosed
US-7601332-B2 Minimized toxicity; eliminating pathogenic cell populations; synthesis; claimed intermediates ENDOCYTE, INC. (US) 2009-10-13 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 (6 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-20130184435-A1 MULTI-DRUG LIGAND CONJUGATES VDR, CD44, HCAR1 GSK3A 4360/4885GSK3B 4133/4885MGLL 3100/4885
US-20120065149-A1 Vitamin receptor binding drug delivery conjugates VDR, CYP2R1, CYP24A1 GSK3A 3790/4885GSK3B 3355/4885MGLL 3107/4885
US-20230338564-A1 NEODEGRADER CONJUGATES CD44, FOLR1, CD47 GSK3A 3868/4885GSK3B 3514/4885MGLL 4525/4885
US-20160220694-A1 Vitamin-Receptor Binding Drug Delivery Conjugates VDR, CYP2R1, CYP24A1 GSK3A 3906/4885GSK3B 3561/4885MGLL 2839/4885
US-20140058064-A1 MULTI-DRUG LIGAND CONJUGATES VDR, CD44, HCAR1 GSK3A 4360/4885GSK3B 4133/4885MGLL 3100/4885
US-20140058063-A1 VITAMIN RECEPTOR BINDING DRUG DELIVERY CONJUGATES VDR, CYP2R1, CYP24A1 GSK3A 3790/4885GSK3B 3355/4885MGLL 3107/4885

“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.