SCHEMBL5082685

SCHEMBL5082685

O=C(O)c1cn(C23CC(C2)C3)c2cc(N3CC4CCC3CN4)c(F)cc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 5/20 0.46
KDM4E B2RXH2 4/20 0.46
LMNA P02545 3/20 0.46
HPGD P15428 3/20 0.46
CYP1A2 P05177 1/20 0.46
TOP2A P11388 1/20 0.46
CYP2C9 P11712 1/20 0.46
TOP2B Q02880 1/20 0.46
MAPT P10636 1/20 0.44
BRD4 O60885 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
CYP2J2 P51589 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PIK3CG P48736 6/20 0.40
TOP1 P11387 3/20 0.40
PIK3CD O00329 5/20 0.40
PIK3R1 P27986 5/20 0.40
PIK3CA P42336 5/20 0.40

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
SCHEMBL5083412 0.92 ALDH1A1 (0.43) ALDH1A1HSD17B10KDM4ELMNAHPGD
SCHEMBL9670775 0.85 KDM4E (0.64) ALDH1A1HSD17B10KDM4ELMNAHPGD
SCHEMBL9837350 0.82 KDM4E (0.61) ALDH1A1HSD17B10KDM4ELMNAHPGD
SCHEMBL5141828 0.82 DPP4 (0.45) ALDH1A1HSD17B10KDM4ELMNAHPGD
SCHEMBL9750291 0.81 ALDH1A1 (0.48) ALDH1A1HSD17B10KDM4ELMNAHPGD
SCHEMBL9684993 0.81 ALDH1A1 (0.48) ALDH1A1HSD17B10KDM4ELMNAHPGD
SCHEMBL9749427 0.81 ALDH1A1 (0.48) ALDH1A1HSD17B10KDM4ELMNAHPGD
SCHEMBL9866284 0.80 KDM4E (0.61) ALDH1A1HSD17B10KDM4ELMNAHPGD
SCHEMBL5086168 0.80 ALDH1A1 (0.52) ALDH1A1HSD17B10KDM4ELMNAHPGD
SCHEMBL9749739 0.80 LMNA (0.60) ALDH1A1HSD17B10KDM4ELMNAHPGD

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 2348/4885HSD17B10 1267/4885KDM4E 3242/4885

“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.