SCHEMBL1242593

SCHEMBL1242593

CCC(CC)n1cc(C(=O)NC(C)(C)C(=O)O)c(=O)c2cc(F)c(NC3CCCCC3)cc21

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
FOXO1 Q12778 1/20 0.41
CNR1 P21554 4/20 0.39
CNR2 P34972 4/20 0.39
PDE10A Q9Y233 2/20 0.37
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.33
RAD52 P43351 1/20 0.33

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
SCHEMBL1242669 0.83 MEN1 (0.46) GAAMEN1KMT2AFOXO1CNR1
Hydrochloric Acid SCHEMBL1242620 0.82 MEN1 (0.46) GAAMEN1KMT2AFOXO1CNR1
SCHEMBL1243279 0.82 MEN1 (0.56) GAAMEN1KMT2AFOXO1CNR1
SCHEMBL1243337 0.82 MEN1 (0.56) GAAMEN1KMT2AFOXO1CNR1
SCHEMBL1242497 0.81 MEN1 (0.54) GAAMEN1KMT2AFOXO1CNR1
SCHEMBL27635118 0.81 MEN1 (0.54) GAAMEN1KMT2AFOXO1CNR1
SCHEMBL266815 0.80 MEN1 (0.54) GAAMEN1KMT2AFOXO1CNR1
SCHEMBL27656230 0.80 MEN1 (0.56) GAAMEN1KMT2AFOXO1ALDH1A1
SCHEMBL4165411 0.79 MEN1 (0.52) GAAMEN1KMT2AFOXO1CNR1
SCHEMBL261932 0.79 MEN1 (0.52) GAAMEN1KMT2AFOXO1CNR1

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 6 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
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 GAA 1758/4885MEN1 2643/4885KMT2A 2659/4885
US-20060148806-A1 Quinolone derivative or salt thereof THPO, ABL1, GMPS GAA 1758/4885MEN1 2643/4885KMT2A 2659/4885

“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.