SCHEMBL824978

SCHEMBL824978

Cc1ccc(N2CCOCC2)c(F)c1C(=O)N(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
LMNA P02545 4/20 0.46
HPGD P15428 3/20 0.46
MAPT P10636 3/20 0.43
TSHR P16473 2/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
NSD2 O96028 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
AKR1C3 P42330 2/20 0.41
GAA P10253 1/20 0.40
PIK3CB P42338 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL824727 0.74 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2LMNAHPGDMAPT
SCHEMBL824765 0.71 MAPT (0.45) ALDH1A1SMN1; SMN2LMNAHPGDMAPT
SCHEMBL1911891 0.71 MAPT (0.46) ALDH1A1SMN1; SMN2LMNAHPGDMAPT
SCHEMBL27794441 0.71 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNAHPGDMAPT
SCHEMBL824944 0.70 MAPT (0.53) ALDH1A1SMN1; SMN2MAPTL3MBTL1MEN1
SCHEMBL12291137 0.69 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNAHPGDMAPT
SCHEMBL20349156 0.69 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNAHPGDMAPT
SCHEMBL25304666 0.69 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNAHPGDMAPT
SCHEMBL5065305 0.69 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNAHPGDMAPT
SCHEMBL31057335 0.69 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNAHPGDMAPT

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
EP-1724262-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-05-02 EP disclosed
EP-1724262-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-05-02 EP disclosed
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US disclosed
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US disclosed
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US disclosed
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 US disclosed
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 US disclosed
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 US disclosed
EP-1724262-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-11-22 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 (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-20070185160-A1 1-(2H)-isoquinolone derivative NR3C2, NR1H4, NR3C1 ALDH1A1 2752/4885SMN1; SMN2 4189/4885LMNA 4396/4885

“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.