SCHEMBL4500290

SCHEMBL4500290

CN(OC(=O)C(=O)ON(C)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
NR4A2 P43354 2/20 0.47
CREBBP Q92793 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
PBRM1 Q86U86 1/20 0.47
ALDH1A1 P00352 6/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 2/20 0.47
MITF O75030 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GPR84 Q9NQS5 1/20 0.46
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 2/20 0.44
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 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
SCHEMBL15602070 0.75 ALDH1A1 (0.50) LMNANPSR1NR4A2CREBBPSLC22A6
SCHEMBL30171037 0.75 ATM (0.54) LMNANPSR1PBRM1ALDH1A1KMT2A
SCHEMBL4212837 0.75 ATM (0.54) LMNANPSR1PBRM1ALDH1A1KMT2A
SCHEMBL27462408 0.73 ALDH1A1 (0.52) LMNANPSR1PBRM1ALDH1A1KMT2A
SCHEMBL8835797 0.73 LMNA (0.48) LMNANPSR1NR4A2CREBBPSLC22A6
SCHEMBL4666381 0.73 ALDH1A1 (0.56) LMNANPSR1PBRM1ALDH1A1KMT2A
SCHEMBL7970007 0.72 LMNA (0.57) LMNANPSR1NR4A2CREBBPSLC22A6
SCHEMBL27945072 0.72 NR4A2 (0.53) LMNANPSR1NR4A2CREBBPSLC22A6
Hydrochloric Acid SCHEMBL27974088 0.71 NR4A2 (0.51) LMNANPSR1NR4A2CREBBPSLC22A6
SCHEMBL9185273 0.70 ALDH1A1 (0.54) LMNANPSR1NR4A2CREBBPSLC22A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298835-A1 NOVEL SCAFFOLDS FOR ALPHA-HELIX MIMICRY THE SCRIPPS RESEARCH INSTITUTE (US) 2009-12-03 US disclosed
US-7579350-B2 5-Isobutyl-6-4-isopropyl-4,5-dihydro-oxazol-2-yl)-pyridazin-3-yl]-piperidin-1-yl-methanone; mimetics of functionalized pyridazine derivatives having low molecular weight; alpha-helical binding ligands of natural receptors such as those of the peptide galanin or the protein Bcl THE SCRIPPS RESEARCH INSTITUTE (US) 2009-08-25 US disclosed
US-20060205728-A1 Novel scaffolds for beta-helix mimicry THE SCRIPPS RESEARCH INSTITUTE (US) 2006-09-14 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 (2 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-20060205728-A1 Novel scaffolds for beta-helix mimicry HRH1, HEATR1, HSPH1 LMNA 2255/4885NPSR1 481/4885NR4A2 83/4885
US-20090298835-A1 NOVEL SCAFFOLDS FOR ALPHA-HELIX MIMICRY HRH1, HEATR1, PLEKHA1 LMNA 2229/4885NPSR1 417/4885NR4A2 79/4885

“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.