SCHEMBL1242497

SCHEMBL1242497

CCC(CC)n1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c(=O)c2cc(F)c(NC3CCCCC3)cc21

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
GAA P10253 2/20 0.54
FOXO1 Q12778 1/20 0.39
EPHX2 P34913 1/20 0.36
KDM4E B2RXH2 2/20 0.36
PIN1 Q13526 1/20 0.36
PDE10A Q9Y233 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
TYMS P04818 4/20 0.34
ALDH1A1 P00352 2/20 0.34
FOLR2 P14207 1/20 0.34
FOLR1 P15328 1/20 0.34
GART P22102 1/20 0.34
SLC19A1 P41440 1/20 0.34
SLC46A1 Q96NT5 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL27635118 1.00 MEN1 (0.54) MEN1KMT2AGAAFOXO1EPHX2
SCHEMBL1243864 0.87 MEN1 (0.53) MEN1KMT2AGAAFOXO1EPHX2
SCHEMBL27656155 0.87 MEN1 (0.53) MEN1KMT2AGAAFOXO1EPHX2
SCHEMBL1243385 0.84 MEN1 (0.45) MEN1KMT2AGAAFOXO1EPHX2
SCHEMBL27635147 0.84 MEN1 (0.45) MEN1KMT2AGAAFOXO1EPHX2
SCHEMBL4107168 0.83 MEN1 (0.47) MEN1KMT2AGAAKDM4EPDE10A
Hydrochloric Acid SCHEMBL4103837 0.82 MEN1 (0.47) MEN1KMT2AGAAKDM4EPDE10A
SCHEMBL261932 0.82 MEN1 (0.52) MEN1KMT2AGAAFOXO1KDM4E
SCHEMBL1242593 0.81 GAA (0.57) MEN1KMT2AGAAFOXO1KDM4E
SCHEMBL1243323 0.81 MEN1 (0.75) MEN1KMT2AGAAFOXO1KDM4E

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.