SCHEMBL5530405

SCHEMBL5530405

COc1c(N2CCN(c3ccc(C#N)cc3)CC2)c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(CN4CCCC4)cc3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 8/20 0.47
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
POLB P06746 3/20 0.43
KCNH2 Q12809 3/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
PRKD3 O94806 1/20 0.43
ALOX15 P16050 1/20 0.43
OPRM1 P35372 1/20 0.43
CLK2 P49760 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
HSP90AA1 P07900 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL5520631 0.99 TOP1 (0.47) TOP1KDM4EALDH1A1POLBKCNH2
SCHEMBL5531070 0.92 TOP1 (0.56) TOP1KDM4EALDH1A1POLBKCNH2
SCHEMBL5524277 0.91 TOP1 (0.49) TOP1KDM4EALDH1A1POLBKCNH2
SCHEMBL5530815 0.90 TOP1 (0.49) TOP1KDM4EALDH1A1POLBKCNH2
SCHEMBL5709887 0.89 TOP1 (0.48) TOP1KDM4EALDH1A1POLBKCNH2
SCHEMBL5526816 0.89 TOP1 (0.48) TOP1KDM4EALDH1A1POLBKCNH2
SCHEMBL5528224 0.89 TOP1 (0.51) TOP1KDM4EALDH1A1POLBKCNH2
SCHEMBL5520017 0.89 TOP1 (0.44) TOP1KDM4EALDH1A1POLBKCNH2
SCHEMBL5526728 0.88 TOP1 (0.50) TOP1KDM4EALDH1A1POLBKCNH2
SCHEMBL5530564 0.88 TOP1 (0.48) TOP1KDM4EALDH1A1POLBKCNH2

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 claimed
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.