SCHEMBL14010261

SCHEMBL14010261

CC(=O)c1cn(C2CC2)c2cc(N3CCN(C(=O)OCC(=O)Nc4ccc(CC(C=O)C=O)cc4)CC3)c(F)cc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PIK3CG P48736 3/20 0.46
PIK3CD O00329 2/20 0.46
PIK3R1 P27986 2/20 0.46
PIK3CA P42336 2/20 0.46
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL14010130 0.85 CA1 (0.56) KDM4EALDH1A1CA1CA2LMNA
SCHEMBL14010301 0.80 KDM4E (0.64) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL14010145 0.79 KDM4E (0.61) KDM4EALDH1A1CA1CA2LMNA
SCHEMBL26930182 0.78 KDM4E (0.55) KDM4EALDH1A1CA1CA2LMNA
SCHEMBL14010243 0.77 KDM4E (0.60) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL5007481 0.75 CA1 (0.46) KDM4EALDH1A1CA1CA2LMNA
SCHEMBL4629778 0.74 KDM4E (0.77) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL13694077 0.73 ALDH1A1 (0.71) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL2151161 0.73 KDM4E (0.68) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL10919718 0.73 KDM4E (0.80) KDM4EALDH1A1CA1CA2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287396-A1 Phosphonated Fluoroquinolones, Antibacterial Analogs Thereof, and Methods for the Prevention and Treatment of Bone and Joint Infections TARGANTA THERAPEUTICA INC. (CA) 2008-11-20 US 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-20080287396-A1 Phosphonated Fluoroquinolones, Antibacterial Analogs Thereof, and Methods for the Prevention and Treatment of Bone and Joint Infections BPGM, PSPH, PGLS KDM4E 3645/4885ALDH1A1 4175/4885CA1 4485/4885

“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.