SCHEMBL5530767

SCHEMBL5530767

COc1c(N2CCN(c3cccc(Cl)c3)CC2)c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(CN(C)C)cc3)c12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 9/20 0.48
KCNH2 Q12809 3/20 0.43
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 4/20 0.42
HSD17B10 Q99714 2/20 0.42
PRKD3 O94806 1/20 0.42
ALOX15 P16050 1/20 0.42
OPRM1 P35372 1/20 0.42
CLK2 P49760 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
MMP2 P08253 1/20 0.41
ADAM17 P78536 1/20 0.41
ADAMTS5 Q9UNA0 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
SCHEMBL5527538 0.93 TOP1 (0.51) TOP1KCNH2KDM4EALDH1A1POLB
SCHEMBL5526300 0.93 TOP1 (0.47) TOP1KCNH2KDM4EALDH1A1POLB
SCHEMBL5523036 0.92 HPGD (0.41) TOP1KDM4EALDH1A1POLBTDP1
SCHEMBL5919385 0.91 HPGD (0.44) TOP1KDM4EALDH1A1POLBLMNA
SCHEMBL5527559 0.90 TOP1 (0.52) TOP1KCNH2KDM4EALDH1A1POLB
SCHEMBL5520041 0.88 TOP1 (0.47) TOP1KCNH2KDM4EALDH1A1POLB
SCHEMBL5525453 0.88 TOP1 (0.49) TOP1KCNH2KDM4EALDH1A1POLB
SCHEMBL5524163 0.88 TOP1 (0.46) TOP1KCNH2KDM4EALDH1A1POLB
SCHEMBL5520614 0.88 TOP1 (0.46) TOP1KCNH2KDM4EALDH1A1POLB
SCHEMBL5520017 0.86 TOP1 (0.44) TOP1KCNH2KDM4EALDH1A1POLB

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 4752/4885KDM4E 2571/4885

“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.