SCHEMBL5528103

SCHEMBL5528103

CON(C)Cc1ccc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CCN(c5ncccn5)CC4)c(Cl)c32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 5/20 0.41
TOP1 P11387 7/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
HSP90AA1 P07900 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
PIK3CG P48736 1/20 0.39
PIM1 P11309 1/20 0.38
TOP2A P11388 2/20 0.38

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
SCHEMBL5528957 0.93 CYP3A4 (0.40) CYP3A4CYP2C9HPGDHSD17B10KDM4E
SCHEMBL5528128 0.90 LMNA (0.46) CYP3A4CYP2C9HPGDHSD17B10KDM4E
SCHEMBL5535041 0.90 PIM1 (0.45) CYP3A4CYP2C9HPGDHSD17B10KDM4E
SCHEMBL5522845 0.89 CYP3A4 (0.39) CYP3A4CYP2C9HPGDHSD17B10KDM4E
SCHEMBL5528101 0.88 CYP3A4 (0.43) CYP3A4CYP2C9HPGDHSD17B10KDM4E
SCHEMBL5528897 0.87 CYP3A4 (0.42) CYP3A4CYP2C9HPGDHSD17B10KDM4E
SCHEMBL5528137 0.86 TOP1 (0.41) CYP3A4CYP2C9HPGDHSD17B10KDM4E
SCHEMBL5528677 0.85 KDM4E (0.46) CYP3A4CYP2C9HPGDHSD17B10KDM4E
SCHEMBL5919414 0.85 CYP3A4 (0.42) CYP3A4CYP2C9HPGDHSD17B10KDM4E
SCHEMBL5520041 0.85 TOP1 (0.47) HPGDHSD17B10KDM4ETOP1ALDH1A1

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 7 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
EP-1732896-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) Aventis Pharmaceuticals Inc. (US) 2006-12-20 EP disclosed
WO-2005097750-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-10-20 WO 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 1954/4885HPGD 150/4885

“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.