SCHEMBL5086475

SCHEMBL5086475

CC1(N)CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C23CC(C2)C3)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
CYP2C9 P11712 2/20 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
EPHA2 P29317 1/20 0.45
FLT4 P35916 1/20 0.45
GSK3B P49841 1/20 0.45
RARB P10826 1/20 0.45
TBXAS1 P24557 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 2/20 0.44
DPP4 P27487 6/20 0.44
CHRM2 P08172 1/20 0.44
DRD1 P21728 1/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL5080730 0.90 LMNA (0.47) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL5082609 0.86 DPP4 (0.47) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL4575143 0.84 DPP4 (0.60) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Hydrochloric Acid SCHEMBL10652952 0.84 DPP4 (0.59) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL5083858 0.83 DPP4 (0.46) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9686060 0.83 LMNA (0.48) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL5083883 0.82 LMNA (0.65) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL5086558 0.82 KMT2A (0.65) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL5086571 0.82 KMT2A (0.65) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL5082857 0.82 DPP4 (0.51) LMNACYP2C9ATP6V1B2TBXA2REDNRA

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 LMNA 415/4885CYP2C9 4811/4885ATP6V1B2 35/4885

“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.