SCHEMBL5519872

SCHEMBL5519872

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.44
KMT2A Q03164 3/20 0.44
MAPK1 P28482 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 3/20 0.44
ATM Q13315 1/20 0.44
KDM4E B2RXH2 4/20 0.40
HPGD P15428 2/20 0.40
CYP2C19 P33261 1/20 0.40
STAT3 P40763 1/20 0.40
MAPT P10636 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CMA1 P23946 1/20 0.37
THRB P10828 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HTR4 Q13639 1/20 0.37

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
SCHEMBL5525438 0.93 ALDH1A1 (0.45) HTTKMT2AMAPK1LMNAMEN1
SCHEMBL5533348 0.92 HTT (0.42) HTTKMT2AMAPK1LMNAMEN1
SCHEMBL5530135 0.89 KMT2A (0.40) HTTKMT2AMAPK1LMNAMEN1
SCHEMBL5525609 0.88 ALDH1A1 (0.41) HTTKMT2AMAPK1LMNAMEN1
SCHEMBL5528707 0.83 STAT3 (0.46) HTTKMT2AMAPK1LMNAMEN1
SCHEMBL5919414 0.82 CYP3A4 (0.42) KMT2AMAPK1LMNAMEN1ALDH1A1
SCHEMBL5529474 0.81 HTT (0.40) HTTKMT2AMAPK1LMNAMEN1
SCHEMBL14417318 0.81 KDM4E (0.42) HTTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL5526755 0.81 HPGD (0.45) HTTALDH1A1KDM4EHPGDMAPT
SCHEMBL5528957 0.81 CYP3A4 (0.40) KMT2ALMNAMEN1ALDH1A1ATM

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1230937-B1 A thermoplastic composition of polyurethane for orthopaedic applications RUNLITE S A (BE) 2006-11-02 EP claimed
EP-1230937-A1 A thermoplastic composition of polyurethane for orthopaedic applications Runlite S.A. (BE) 2002-08-14 EP 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
EP-1230937-B1 A thermoplastic composition of polyurethane for orthopaedic applications RUNLITE S A (BE) 2006-11-02 EP disclosed
WO-2005097752-A1 QUINOLONE CARBOXYLIC ACID DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE CONDITIONS BAYER PHARMACEUTICALS CORPORATION (US) 2005-10-20 WO disclosed
EP-1230937-A1 A thermoplastic composition of polyurethane for orthopaedic applications Runlite S.A. (BE) 2002-08-14 EP 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 3021/4885KMT2A 2389/4885MAPK1 1895/4885

“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.