SCHEMBL5535429

SCHEMBL5535429

CCOC(=O)c1cn(-c2ccc(CN(CC)CC)cc2)c2c(OC)c(F)c(F)cc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 3/20 0.49
HTT P42858 1/20 0.48
ADRB2 P07550 1/20 0.41
KMT2A Q03164 3/20 0.39
THRB P10828 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 1/20 0.37
HSP90AA1 P07900 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CYP2C19 P33261 1/20 0.37
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 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
SCHEMBL5526736 0.92 STAT3 (0.49) STAT3HTTADRB2KMT2ATHRB
SCHEMBL5528122 0.91 STAT3 (0.47) STAT3HTTADRB2KMT2ANPC1
SCHEMBL5529702 0.89 STAT3 (0.45) STAT3HTTADRB2KMT2ANPC1
SCHEMBL9773968 0.88 HTT (0.54) STAT3HTTADRB2KMT2ANPC1
SCHEMBL5523872 0.84 STAT3 (0.47) STAT3HTTADRB2KMT2ANPC1
SCHEMBL5523968 0.83 STAT3 (0.47) STAT3HTTADRB2KMT2ANPC1
SCHEMBL5526211 0.82 STAT3 (0.47) STAT3HTTADRB2KMT2ANPC1
SCHEMBL5520741 0.81 STAT3 (0.45) STAT3HTTADRB2KMT2ANPC1
SCHEMBL5524205 0.81 STAT3 (0.46) STAT3HTTADRB2KMT2ANPC1
SCHEMBL10629402 0.80 HTT (0.61) STAT3HTTADRB2KMT2ATHRB

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 STAT3 642/4885HTT 3021/4885ADRB2 2480/4885

“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.