SCHEMBL5528631

SCHEMBL5528631

CCOC(=O)c1cn(-c2ccc(CO)cc2)c2c(Cl)c(F)c(F)cc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
STAT3 P40763 3/20 0.53
NPC1 O15118 1/20 0.46
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
ADRB2 P07550 1/20 0.42
TP53 P04637 1/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
HSP90AA1 P07900 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.39
P2RX3 P56373 1/20 0.39
PIM1 P11309 1/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL14417317 0.91 HTT (0.52) HTTSTAT3NPC1KMT2AKDM4E
SCHEMBL7005983 0.91 HTT (0.56) HTTSTAT3NPC1KMT2AKDM4E
SCHEMBL5525721 0.88 STAT3 (0.49) HTTSTAT3NPC1KMT2AKDM4E
SCHEMBL5526055 0.87 STAT3 (0.49) HTTSTAT3NPC1KMT2AKDM4E
SCHEMBL9871156 0.85 HTT (0.62) HTTSTAT3NPC1KMT2AKDM4E
SCHEMBL7006936 0.85 HTT (0.56) HTTSTAT3NPC1KMT2AKDM4E
SCHEMBL5526204 0.84 STAT3 (0.46) HTTSTAT3NPC1KMT2AKDM4E
SCHEMBL10471993 0.83 HTT (0.57) HTTSTAT3NPC1KMT2AKDM4E
SCHEMBL7011166 0.83 NPC1 (0.56) HTTSTAT3NPC1KMT2AKDM4E
SCHEMBL8040002 0.83 STAT3 (0.64) HTTSTAT3NPC1KMT2AKDM4E

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 HTT 3021/4885STAT3 642/4885NPC1 3419/4885

“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.