SCHEMBL1243905

SCHEMBL1243905

CCC(CC)n1nc(C(=O)NCCP(=O)(O)O)c(=O)c2cc(F)c(NC3CCCCC3)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
GAA P10253 1/20 0.47
FOXO1 Q12778 1/20 0.35
CNR2 P34972 6/20 0.33
ALOX15 P16050 1/20 0.33
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA3 P07451 3/20 0.33
CA6 P23280 3/20 0.33
CA5A P35218 3/20 0.33
CA7 P43166 3/20 0.33
CA9 Q16790 3/20 0.33
CA14 Q9ULX7 3/20 0.33
CA4 P22748 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
DHODH Q02127 1/20 0.32
CA5B Q9Y2D0 2/20 0.32
CNR1 P21554 5/20 0.32

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
SCHEMBL1241050 0.87 MEN1 (0.52) MEN1KMT2AGAAFOXO1CNR2
SCHEMBL1242697 0.85 MEN1 (0.51) MEN1KMT2AGAAFOXO1ALOX15
SCHEMBL1243337 0.83 MEN1 (0.56) MEN1KMT2AGAAFOXO1CNR2
SCHEMBL1243385 0.79 MEN1 (0.45) MEN1KMT2AGAAFOXO1ALOX15
SCHEMBL27635147 0.79 MEN1 (0.45) MEN1KMT2AGAAFOXO1ALOX15
SCHEMBL1241191 0.78 KMT2A (0.75) MEN1KMT2AGAAFOXO1ALDH1A1
SCHEMBL1243867 0.78 MEN1 (0.54) MEN1KMT2AGAAFOXO1CNR2
SCHEMBL1243143 0.76 MEN1 (0.56) MEN1KMT2AGAAFOXO1CNR2
Bromide SCHEMBL1243136 0.76 MEN1 (0.55) MEN1KMT2AGAAFOXO1CNR2
SCHEMBL4161753 0.73 MEN1 (0.48) MEN1KMT2AGAAFOXO1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124617-A1 QUINOLONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-05-14 US claimed
CN-100471842-C Carbostyril derivative or salt thereof ASTELLAS PHARMA INC (JP) 2009-03-25 CN claimed
US-7488739-B2 Quinolone derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-02-10 US claimed
CN-1826321-A Quinolone derivative or its salt YAMANOUCHI PHARMA CO LTD (JP) 2006-08-30 CN claimed
US-20060148806-A1 Quinolone derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2006-07-06 US claimed
EP-1650192-A1 QUINOLONE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2006-04-26 EP claimed
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
CN-100471842-C Carbostyril derivative or salt thereof ASTELLAS PHARMA INC (JP) 2009-03-25 CN disclosed
US-7488739-B2 Quinolone derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-02-10 US disclosed
CN-1826321-A Quinolone derivative or its salt YAMANOUCHI PHARMA CO LTD (JP) 2006-08-30 CN 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 MEN1 2643/4885KMT2A 2659/4885GAA 1758/4885
US-20060148806-A1 Quinolone derivative or salt thereof THPO, ABL1, GMPS MEN1 2643/4885KMT2A 2659/4885GAA 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.