SCHEMBL5525438

SCHEMBL5525438

CCOC(=O)c1cn(-c2ccc(CBr)cc2)c2c(Cl)c(N3CCN(c4ccccn4)CC3)c(F)cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
ATM Q13315 1/20 0.45
HTT P42858 4/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 3/20 0.43
MAPK1 P28482 2/20 0.43
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 4/20 0.40
HPGD P15428 2/20 0.40
CYP2C19 P33261 1/20 0.40
STAT3 P40763 1/20 0.39
MAPT P10636 3/20 0.38
HSD17B10 Q99714 2/20 0.38
CMA1 P23946 1/20 0.37
THRB P10828 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 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
SCHEMBL5519872 0.93 HTT (0.44) ALDH1A1ATMHTTKMT2ALMNA
SCHEMBL5533348 0.91 HTT (0.42) ALDH1A1ATMHTTKMT2ALMNA
SCHEMBL5530135 0.88 KMT2A (0.40) ALDH1A1ATMHTTKMT2ALMNA
SCHEMBL5525609 0.88 ALDH1A1 (0.41) ALDH1A1ATMHTTKMT2ALMNA
SCHEMBL5528707 0.82 STAT3 (0.46) ALDH1A1ATMHTTKMT2ALMNA
SCHEMBL5919414 0.81 CYP3A4 (0.42) ALDH1A1KMT2ALMNAMAPK1MEN1
SCHEMBL5529474 0.81 HTT (0.40) ALDH1A1ATMHTTKMT2ALMNA
SCHEMBL14417317 0.81 HTT (0.52) ALDH1A1HTTKMT2ALMNAKDM4E
SCHEMBL14417318 0.81 KDM4E (0.42) ALDH1A1HTTKMT2AMEN1KDM4E
SCHEMBL5526755 0.81 HPGD (0.45) ALDH1A1HTTKDM4EHPGDMAPT

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 ALDH1A1 272/4885ATM 815/4885HTT 3021/4885

“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.