SCHEMBL5520779

SCHEMBL5520779

N#Cc1ccccc1N1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(CN5CC[C@H](O)C5)cc4)c3c2Cl)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 6/20 0.44
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
TOP2A P11388 8/20 0.43
TOP2B Q02880 8/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
LMNA P02545 1/20 0.41
HSP90AA1 P07900 1/20 0.41
RXFP1 Q9HBX9 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
SCHEMBL5522813 1.00 TOP1 (0.44) TOP1ALDH1A1POLBCHRM2CHRM1
SCHEMBL5527455 0.91 ALDH1A1 (0.47) TOP1ALDH1A1POLBCHRM2CHRM1
SCHEMBL5528960 0.87 TOP1 (0.48) TOP1ALDH1A1POLBCHRM2CHRM1
SCHEMBL5528990 0.87 TOP1 (0.48) TOP1ALDH1A1POLBCHRM2CHRM1
SCHEMBL5530189 0.86 CYP3A4 (0.46) TOP1ALDH1A1POLBCHRM2CHRM1
SCHEMBL5530220 0.85 CYP3A4 (0.44) TOP1ALDH1A1POLBCHRM2CHRM1
SCHEMBL5525019 0.83 ALDH1A1 (0.44) TOP1ALDH1A1POLBCHRM2CHRM1
SCHEMBL5528137 0.83 TOP1 (0.41) TOP1ALDH1A1POLBCHRM2CHRM1
SCHEMBL5528886 0.83 ALDH1A1 (0.49) TOP1ALDH1A1POLBCHRM2CHRM1
SCHEMBL5528224 0.82 TOP1 (0.51) TOP1ALDH1A1POLBOPRM1KDM4E

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 39/4885ALDH1A1 272/4885POLB 301/4885

“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.