SCHEMBL1243879

SCHEMBL1243879

CCOC(=O)c1c(C)[nH]c2cc(C3(NC4CCCCC4)CCCC3)c(F)cc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
TSHR P16473 2/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 2/20 0.37
PKM P14618 1/20 0.37
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CASP3 P42574 5/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
KMT2A Q03164 1/20 0.35
MDM2 Q00987 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL1243877 0.71 GAA (0.44) GAATSHRHPGDNPC1CASP3
SCHEMBL10086148 0.67 GAA (0.63) GAATSHRHPGDMAPTPKM
SCHEMBL31060356 0.66 GAA (0.61) GAAHPGDMAPTPKMNPC1
SCHEMBL18549336 0.66 GAA (0.61) GAAHPGDMAPTPKMNPC1
SCHEMBL26632784 0.65 CSF1R (0.61) GAATSHRHPGDMAPTLMNA
SCHEMBL31080886 0.65 CSF1R (0.61) GAATSHRHPGDMAPTLMNA
SCHEMBL10974102 0.65 NPC1 (0.43) GAATSHRHPGDMAPTPKM
SCHEMBL20291769 0.64 MAPT (0.63) GAAHPGDMAPTPKMLMNA
SCHEMBL19846945 0.64 KDM4E (0.58) GAATSHRHPGDMAPTNPC1
SCHEMBL21430761 0.64 GAA (0.55) GAAHPGDMAPTPKMNPC1

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 1758/4885TSHR 4733/4885HPGD 211/4885

“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.