SCHEMBL824683

SCHEMBL824683

Cc1cc(Cl)ccc1C(=O)N(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 4/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
FLT1 P17948 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KCNH2 Q12809 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
GFER P55789 1/20 0.46
GAA P10253 1/20 0.46
CNR1 P21554 1/20 0.43
JAK2 O60674 1/20 0.43
CYP11B2 P19099 1/20 0.43

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
SCHEMBL824940 0.85 HPGD (0.55) HPGDHTTALDH1A1MAPTMEN1
SCHEMBL3780795 0.84 HPGD (0.58) HPGDHTTALDH1A1MAPTMEN1
SCHEMBL9653150 0.82 ALDH1A1 (0.60) HPGDHTTALDH1A1MAPTMEN1
SCHEMBL18057574 0.82 RAB9A (0.45) ALDH1A1MAPTMEN1KMT2AFLT1
SCHEMBL3814352 0.81 HPGD (0.51) HPGDHTTALDH1A1MAPTMEN1
SCHEMBL11255876 0.80 FLT1 (0.50) ALDH1A1MAPTMEN1KMT2AFLT1
SCHEMBL16994749 0.80 SMN1; SMN2 (0.51) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL250256 0.79 FLT1 (0.53) ALDH1A1MAPTMEN1KMT2AFLT1
SCHEMBL16098644 0.79 ALDH1A1 (0.54) HPGDHTTALDH1A1MAPTMEN1
SCHEMBL3814770 0.79 ABL1 (0.59) HPGDHTTALDH1A1MAPTMEN1

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 HPGD 1453/4885HTT 2919/4885ALDH1A1 2752/4885

“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.