SCHEMBL5086550

SCHEMBL5086550

O=C(O)c1cn(C23CC(C2)C3)c2nc(N3CCNC(c4ccccc4)C3)c(F)cc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.48
LMNA P02545 3/20 0.47
CYP2C9 P11712 1/20 0.47
ATP6V1B2 P21281 1/20 0.47
TBXA2R P21731 1/20 0.47
EDNRA P25101 1/20 0.47
TARBP2 Q15633 1/20 0.47
KMT2A Q03164 1/20 0.45
GSK3B P49841 2/20 0.44
EPHA2 P29317 1/20 0.44
FLT4 P35916 1/20 0.44
RARB P10826 1/20 0.44
TBXAS1 P24557 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
POLB P06746 1/20 0.41
XBP1 P17861 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
SCHEMBL5084072 0.87 LMNA (0.53) DPP4LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL5083883 0.84 LMNA (0.65) DPP4LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL9686438 0.84 DPP4 (0.68) DPP4LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL9686960 0.83 LMNA (0.51) DPP4LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL5086478 0.83 KDM4E (0.48) LMNACYP2C9KMT2AKDM4EHSD17B10
SCHEMBL5080649 0.81 KMT2A (0.52) DPP4LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL5086825 0.80 LMNA (0.47) DPP4LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL5086558 0.80 KMT2A (0.65) DPP4LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL5086571 0.80 KMT2A (0.65) DPP4LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL5080289 0.79 EPHA2 (0.49) DPP4LMNACYP2C9ATP6V1B2TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 DPP4 982/4885LMNA 415/4885CYP2C9 4811/4885

“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.