SCHEMBL1243877

SCHEMBL1243877

CCOC(=O)c1c(CC2CCCC2)[nH]c2cc(NC3CCCCC3)c(F)cc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALOX15 P16050 2/20 0.42
CASP3 P42574 9/20 0.39
BRD4 O60885 1/20 0.37
MDM2 Q00987 1/20 0.36
PDE4B Q07343 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL4493859 0.74 GAA (0.52) GAAMEN1KMT2AALOX15CASP3
SCHEMBL1242686 0.72 GAA (0.52) GAAMEN1KMT2AALOX15CASP3
SCHEMBL1243899 0.72 MEN1 (0.50) GAAMEN1KMT2AALOX15CASP3
SCHEMBL1243574 0.72 MEN1 (0.50) GAAMEN1KMT2AALOX15CASP3
SCHEMBL27656238 0.72 KMT2A (0.47) GAAMEN1KMT2A
SCHEMBL1243879 0.71 GAA (0.39) GAAMEN1KMT2ACASP3MDM2
SCHEMBL1243193 0.68 KMT2A (0.61) GAAMEN1KMT2AALOX15HPGD
SCHEMBL1241150 0.67 KMT2A (0.55) GAAMEN1KMT2AALOX15CASP3
SCHEMBL11022178 0.67 NPC1 (0.43) MEN1KMT2ANPC1HPGD
SCHEMBL1243548 0.67 KMT2A (0.59) GAAMEN1KMT2AALOX15BRD4

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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

“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.