SCHEMBL5531380

SCHEMBL5531380

CCN(CC)Cc1ccc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CCN(c5ncccc5C#N)CC4)c(OC)c32)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 6/20 0.43
KCNH2 Q12809 3/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 3/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 2/20 0.38
PRKD3 O94806 1/20 0.38
ALOX15 P16050 1/20 0.38
OPRM1 P35372 1/20 0.38
CLK2 P49760 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37

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
SCHEMBL5525220 0.92 PIK3CG (0.37) TOP1ALDH1A1MAPTKDM4EPOLB
SCHEMBL5523951 0.90 TOP1 (0.47) TOP1KCNH2ALDH1A1KDM4EPOLB
SCHEMBL5525086 0.89 TOP1 (0.46) TOP1KCNH2ALDH1A1KDM4EPOLB
SCHEMBL5527443 0.89 TOP1 (0.46) TOP1KCNH2ALDH1A1MAPTKDM4E
SCHEMBL14417359 0.86 TOP1 (0.46) TOP1KCNH2ALDH1A1KDM4EPOLB
SCHEMBL5525898 0.86 TOP1 (0.43) TOP1KCNH2ALDH1A1KDM4EPOLB
SCHEMBL5525061 0.86 TOP1 (0.36) TOP1ALDH1A1KDM4ELMNAHPGD
SCHEMBL5524995 0.85 TOP1 (0.38) TOP1ALDH1A1MAPTKDM4EPOLB
SCHEMBL5522845 0.84 CYP3A4 (0.39) TOP1ALDH1A1MAPTKDM4EPOLB
SCHEMBL5525034 0.84 TOP1 (0.51) TOP1KCNH2ALDH1A1KDM4EPOLB

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
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
US-20070213339-A1 Quinolone Carboxylic Acid Derivatives for Treatment of Hyperproliferative Conditions BAYER PHARMACEUTICALS CORPORATION (US) 2007-09-13 US disclosed
EP-1732897-A1 QUINOLONE CARBOXYLIC ACID DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE CONDITIONS Bayer Pharmaceuticals Corporation (US) 2006-12-20 EP disclosed
WO-2005097752-A1 QUINOLONE CARBOXYLIC ACID DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE CONDITIONS BAYER PHARMACEUTICALS CORPORATION (US) 2005-10-20 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-20070213339-A1 Quinolone Carboxylic Acid Derivatives for Treatment of Hyperproliferative Conditions TP53, RB1, HRAS TOP1 39/4885KCNH2 4752/4885ALDH1A1 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.