SCHEMBL5533293

SCHEMBL5533293

COc1c(N2CCN(c3ccccc3[N+](=O)[O-])CC2)c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(CN4CCCC4)cc3)c12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 10/20 0.48
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 2/20 0.45
HSP90AA1 P07900 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HPGD P15428 2/20 0.43
HSD17B10 Q99714 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNH2 Q12809 1/20 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
SCHEMBL5530158 0.99 TOP1 (0.47) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL5531265 0.91 TOP1 (0.52) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL5525250 0.90 TOP1 (0.51) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL5529488 0.90 TOP1 (0.45) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL5522789 0.89 TOP1 (0.51) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL5535408 0.88 TOP1 (0.44) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL5530214 0.87 TOP1 (0.49) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL5528224 0.87 TOP1 (0.51) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL5527407 0.87 KDM4E (0.53) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL5526728 0.87 TOP1 (0.50) TOP1KDM4EALDH1A1POLBHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213339-A1 Quinolone Carboxylic Acid Derivatives for Treatment of Hyperproliferative Conditions BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-13 US disclosed
US-20070213339-A1 Quinolone Carboxylic Acid Derivatives for Treatment of Hyperproliferative Conditions BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-13 US disclosed
US-20070213339-A1 Quinolone Carboxylic Acid Derivatives for Treatment of Hyperproliferative Conditions BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-13 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-20070213339-A1 Quinolone Carboxylic Acid Derivatives for Treatment of Hyperproliferative Conditions TP53, RB1, HRAS TOP1 39/4885KDM4E 2571/4885ALDH1A1 272/4885

“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.