SCHEMBL1242677

SCHEMBL1242677

CCOC(=O)c1cn(CC(=O)OC(=O)C(F)(F)F)c2cc(NC3CCCCC3)c(F)cc2c1=O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
GAA P10253 2/20 0.60
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 3/20 0.47
FOXO1 Q12778 1/20 0.43
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.39
TOP2B Q02880 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
ADRB2 P07550 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
Trifluoroacetic Acid SCHEMBL1242675 0.89 KMT2A (0.61) KMT2AMEN1GAAALDH1A1HPGD
SCHEMBL1243193 0.86 KMT2A (0.61) KMT2AMEN1GAAALDH1A1HPGD
SCHEMBL1241060 0.83 KMT2A (0.57) KMT2AMEN1GAAALDH1A1HPGD
SCHEMBL1243157 0.82 KDM4E (0.56) KMT2AMEN1GAAALDH1A1HPGD
SCHEMBL1243548 0.81 KMT2A (0.59) KMT2AMEN1GAAALDH1A1HPGD
SCHEMBL25069254 0.81 KMT2A (0.78) KMT2AMEN1GAAALDH1A1HPGD
SCHEMBL27656221 0.80 MEN1 (0.73) KMT2AMEN1GAAALDH1A1HPGD
SCHEMBL1243106 0.80 KMT2A (0.57) KMT2AMEN1GAAALDH1A1HPGD
SCHEMBL1242758 0.80 KMT2A (0.57) KMT2AMEN1GAAALDH1A1HPGD
SCHEMBL1242641 0.79 KMT2A (0.54) KMT2AMEN1GAAALDH1A1HPGD

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-7879878-B2 such as {2-[({[7-(cyclohexylamino)-6-fluoro-4-oxo-1-[(3S)-tetrahydrofuran-3-yl]-1,4-dihydroquinolin-3-yl}carbonyl)amino]ethyl}phosphonic acid, used as platelet aggregation inhibitor and purinergic receptor (P2Y12) inhibitors; therapy for circulatory diseases involving thrombosis via platelet aggregation ASTELLAS PHARMA INC. (JP) 2011-02-01 US disclosed
US-20090124617-A1 QUINOLONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-05-14 US disclosed
US-7488739-B2 Quinolone derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-02-10 US disclosed
US-20060148806-A1 Quinolone derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2006-07-06 US disclosed
EP-1650192-A1 QUINOLONE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2006-04-26 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 (2 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-20090124617-A1 QUINOLONE DERIVATIVE OR SALT THEREOF THPO, ABL1, GMPS KMT2A 2659/4885MEN1 2643/4885GAA 1758/4885
US-20060148806-A1 Quinolone derivative or salt thereof THPO, ABL1, GMPS KMT2A 2659/4885MEN1 2643/4885GAA 1758/4885

“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.