SCHEMBL5522845

SCHEMBL5522845

CON(C)Cc1ccc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CCN(c5ncccc5C#N)CC4)c(Cl)c32)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
PARP1 P09874 2/20 0.38
TOP1 P11387 4/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 2/20 0.36
PIK3CG P48736 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL5528137 0.90 TOP1 (0.41) CYP3A4CYP2C9TOP1ALDH1A1POLB
SCHEMBL5528103 0.89 CYP3A4 (0.42) CYP3A4CYP2C9TOP1ALDH1A1POLB
SCHEMBL5529726 0.87 CYP3A4 (0.42) CYP3A4CYP2C9PARP1ALDH1A1POLB
SCHEMBL5528957 0.86 CYP3A4 (0.40) CYP3A4CYP2C9TOP1ALDH1A1POLB
SCHEMBL5531380 0.84 TOP1 (0.43) TOP1ALDH1A1MAPTPOLBOPRM1
SCHEMBL5524995 0.84 TOP1 (0.38) PARP1TOP1ALDH1A1MAPTPOLB
SCHEMBL5528128 0.84 LMNA (0.46) CYP3A4CYP2C9TOP1ALDH1A1POLB
SCHEMBL5535041 0.84 PIM1 (0.45) CYP3A4CYP2C9TOP1ALDH1A1POLB
SCHEMBL5525061 0.82 TOP1 (0.36) PARP1TOP1ALDH1A1HPGDHSD17B10
SCHEMBL5527443 0.82 TOP1 (0.46) PARP1TOP1ALDH1A1MAPTPOLB

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 5 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
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 CYP3A4 1946/4885CYP2C9 1954/4885PARP1 435/4885

“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.