SCHEMBL2087975

SCHEMBL2087975

CCOC(=O)c1cc(F)cnc1NCCC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
CHRNA7 P36544 4/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
JMJD6 Q6NYC1 1/20 0.37
FOS P01100 2/20 0.37
JUN P05412 2/20 0.37
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL2085911 0.85 MAPT (0.44) ALDH1A1CHRNA7CYP1A2CYP2C9KDM4E
SCHEMBL2087890 0.85 OPRK1 (0.43) ALDH1A1CYP1A2CYP2C9KDM4ECYP3A4
SCHEMBL15638267 0.80 CHRNA7 (0.51) ALDH1A1CHRNA7CYP1A2CYP2C9KDM4E
SCHEMBL15636310 0.79 CHRNA7 (0.50) ALDH1A1CHRNA7CYP1A2CYP2C9CYP2D6
SCHEMBL2086982 0.78 MAPT (0.50) ALDH1A1CYP1A2CYP2C9KDM4ECYP3A4
SCHEMBL2087895 0.78 HTT (0.57) ALDH1A1CYP1A2KDM4ECYP3A4MAPK1
SCHEMBL15635743 0.75 LMNA (0.53) ALDH1A1KDM4EMAPK1HTTTSHR
SCHEMBL4847270 0.74 GAA (0.53) ALDH1A1KDM4EGAAL3MBTL1MAPT
SCHEMBL9591482 0.74 KDM4E (0.46) ALDH1A1CHRNA7CYP1A2CYP2C9KDM4E
SCHEMBL2087996 0.73 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9KDM4ECYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897612-B2 Substituted 1,8-naphthyridinecarboxamides for use as prolyl hydroxylase inhibitors GlaxoSmithKline, LLC (US) 2011-03-01 US disclosed
US-20090082357-A1 Prolyl Hydroxylase Inhibitors GLAXOSMITHKLINE LLC 2009-03-26 US disclosed
US-20070213335-A1 Prolyl Hydroxylase Inhibitors SMITHKLINE BEECHAM CORPORATION 2007-09-13 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 (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-20090082357-A1 Prolyl Hydroxylase Inhibitors HIF1AN, EGLN2, EGLN3 ALDH1A1 319/4885CHRNA7 4869/4885CYP1A2 183/4885
US-20070213335-A1 Prolyl Hydroxylase Inhibitors HIF1AN, EGLN2, EGLN3 ALDH1A1 319/4885CHRNA7 4869/4885CYP1A2 183/4885

“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.