SCHEMBL5083194

SCHEMBL5083194

O=C(O)c1cn(C23CC(C2)C3)c2cc(N3CCN(C4C=CCC4)CC3)c(F)cc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 6/20 0.48
LMNA P02545 5/20 0.47
HSD17B10 Q99714 5/20 0.47
HPGD P15428 5/20 0.47
MAPT P10636 1/20 0.47
CYP1A2 P05177 1/20 0.47
TOP2A P11388 1/20 0.47
CYP2C9 P11712 1/20 0.47
TOP2B Q02880 1/20 0.47
DRD3 P35462 1/20 0.46
PIK3CG P48736 6/20 0.44
PIK3CD O00329 5/20 0.44
PIK3R1 P27986 5/20 0.44
PIK3CA P42336 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
BRD4 O60885 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL5086541 0.83 ALDH1A1 (0.65) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL5083795 0.83 LMNA (0.45) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL9686268 0.82 ALDH1A1 (0.52) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL5083273 0.81 ALDH1A1 (0.67) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL5084153 0.81 ALDH1A1 (0.52) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL5086897 0.81 ALDH1A1 (0.52) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL5084361 0.80 ALDH1A1 (0.49) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL5080694 0.79 TOP1 (0.59) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL8091157 0.77 KDM4E (0.42) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL5086168 0.77 ALDH1A1 (0.52) ALDH1A1KDM4ELMNAHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0447484-A1 ANTIBACTERIAL QUINOLONE COMPOUNDS THE UPJOHN COMPANY (US) 1991-09-25 EP claimed
WO-1990006307-A2 ANTIBACTERIAL QUINOLONE COMPOUNDS THE UPJOHN COMPANY (US) 1990-06-14 WO claimed
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders CHDI, INCORPORATED 2008-02-21 US disclosed
US-5385906-A Treating gramnegative and grampositive bacterial infections THE UPJOHN COMPANY (US) 1995-01-31 US disclosed
US-5262417-A Antibacterial quinolone compounds THE UPJOHN COMPANY (US) 1993-11-16 US disclosed
EP-0447484-A1 ANTIBACTERIAL QUINOLONE COMPOUNDS THE UPJOHN COMPANY (US) 1991-09-25 EP disclosed
WO-1990006307-A2 ANTIBACTERIAL QUINOLONE COMPOUNDS THE UPJOHN COMPANY (US) 1990-06-14 WO 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-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN ALDH1A1 2348/4885KDM4E 3242/4885LMNA 415/4885

“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.