SCHEMBL1243841

SCHEMBL1243841

CC1(C)OCC(n2cc(C(=O)NCCP(=O)(O)O)c(=O)c3cc(F)c(NC4CCCCC4)cc32)CO1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
CNR2 P34972 10/20 0.37
CNR1 P21554 9/20 0.37
FOXO1 Q12778 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
POU2F2 P09086 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
SCHEMBL1243143 0.90 MEN1 (0.56) MEN1KMT2AGAAKDM4EALDH1A1
Bromide SCHEMBL1243136 0.89 MEN1 (0.55) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL1243978 0.88 MEN1 (0.51) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL1241191 0.81 KMT2A (0.75) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL1242575 0.79 MEN1 (0.54) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL1243867 0.79 MEN1 (0.54) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL1243337 0.79 MEN1 (0.56) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL262578 0.77 MEN1 (0.55) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL262069 0.77 MEN1 (0.59) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL1243343 0.76 MEN1 (0.47) MEN1KMT2AGAAKDM4EALDH1A1

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
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 claimed
US-20090124617-A1 QUINOLONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-05-14 US 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
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 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.