SCHEMBL5520728

SCHEMBL5520728

CC1CCCN1Cc1ccc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CCN(c5ccccn5)CC4)c(Cl)c32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 6/20 0.41
TOP1 P11387 5/20 0.40
POLB P06746 4/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
LMNA P02545 2/20 0.39
HSP90AA1 P07900 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ALB P02768 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
AADAT Q8N5Z0 2/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 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
SCHEMBL5525711 0.91 CYP3A4 (0.42) HPGDHSD17B10CYP3A4CYP2C9KDM4E
SCHEMBL5531076 0.90 TOP1 (0.41) HPGDHSD17B10CYP3A4CYP2C9KDM4E
SCHEMBL5522993 0.90 TOP1 (0.41) HPGDHSD17B10CYP3A4CYP2C9KDM4E
SCHEMBL5529020 0.88 TOP1 (0.45) HPGDHSD17B10CYP3A4CYP2C9KDM4E
SCHEMBL5526755 0.88 HPGD (0.45) HPGDHSD17B10CYP3A4CYP2C9KDM4E
SCHEMBL5526715 0.87 CYP3A4 (0.42) HPGDHSD17B10CYP3A4CYP2C9KDM4E
SCHEMBL5527426 0.87 CYP3A4 (0.42) HPGDHSD17B10CYP3A4CYP2C9KDM4E
SCHEMBL5522817 0.86 CYP3A4 (0.42) HPGDHSD17B10CYP3A4CYP2C9KDM4E
SCHEMBL5530747 0.86 CYP3A4 (0.41) HPGDHSD17B10CYP3A4CYP2C9KDM4E
SCHEMBL5530220 0.86 CYP3A4 (0.44) HPGDHSD17B10CYP3A4CYP2C9KDM4E

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 HPGD 150/4885HSD17B10 663/4885CYP3A4 1946/4885

“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.