SCHEMBL4484417

SCHEMBL4484417

CCC(C)C1CN(C(=O)c2cc(CC(C)C)c(C(=O)NN)nn2)CCN1C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 7/20 0.34
KDM5B Q9UGL1 1/20 0.30
LMNA P02545 2/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA2 P47869 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL4484410 1.00 KDM5A (0.34) KDM5AKDM5BLMNATSHRSMN1; SMN2
SCHEMBL4474032 0.90 KDM5A (0.33) KDM5ALMNATSHRSMN1; SMN2MAPT
SCHEMBL4474043 0.90 KDM5A (0.33) KDM5ALMNATSHRSMN1; SMN2MAPT
SCHEMBL4485028 0.89 KDM5A (0.33) KDM5A
SCHEMBL4485035 0.89 KDM5A (0.33) KDM5A
SCHEMBL13600526 0.89 CNR2 (0.33) KDM5A
SCHEMBL13600530 0.84 KDM5A (0.30) KDM5A
SCHEMBL13607432 0.83 KDM5A (0.32) KDM5ALMNATSHRSMN1; SMN2MAPT
SCHEMBL3138155 0.81 RAB9A (0.38) LMNATSHRSMN1; SMN2MAPTHTT
SCHEMBL4500319 0.80 HPGD (0.39) LMNATSHRSMN1; SMN2MAPTHTT

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 KDM5A 4283/4885KDM5B 4357/4885LMNA 2255/4885
US-20090298835-A1 NOVEL SCAFFOLDS FOR ALPHA-HELIX MIMICRY HRH1, HEATR1, PLEKHA1 KDM5A 4087/4885KDM5B 4372/4885LMNA 2229/4885

“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.