SCHEMBL5086497

SCHEMBL5086497

CC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C45CC(C4)C5)c3c2F)CC1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.47
ALDH1A1 P00352 7/20 0.47
HPGD P15428 6/20 0.47
HSD17B10 Q99714 6/20 0.47
PMP22 Q01453 1/20 0.46
POLB P06746 3/20 0.42
OPRM1 P35372 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
OPRD1 P41143 1/20 0.42
KCNH2 Q12809 4/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
AADAT Q8N5Z0 2/20 0.42
LMNA P02545 1/20 0.41
PIM1 P11309 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
PIM3 Q86V86 1/20 0.41
CSNK1G1 Q9HCP0 1/20 0.41

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
SCHEMBL20850987 0.88 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL5080350 0.85 ALDH1A1 (0.60) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL30511911 0.84 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL5086645 0.83 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10CYP2C9
SCHEMBL5083980 0.82 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL5086191 0.82 LMNA (0.52) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL10689149 0.82 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL10373920 0.82 ALDH1A1 (0.60) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL4731238 0.82 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL10689137 0.82 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10PMP22

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 KDM4E 3242/4885ALDH1A1 2348/4885HPGD 1094/4885

“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.