SCHEMBL824836

SCHEMBL824836

CNC(=O)c1cc(N2CCOCC2)c(Cl)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.50
RAB9A P51151 5/20 0.50
MAPT P10636 5/20 0.50
NPC1 O15118 4/20 0.50
HTT P42858 4/20 0.50
CYP2C9 P11712 1/20 0.50
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
LMNA P02545 3/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 6/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 4/20 0.46
TSHR P16473 2/20 0.46
POLB P06746 2/20 0.46
KDM4E B2RXH2 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46

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
SCHEMBL15033704 0.76 MAPK1 (0.49) SMN1; SMN2RAB9AMAPTNPC1HTT
SCHEMBL824738 0.75 MAPT (0.53) SMN1; SMN2RAB9AMAPTNPC1LMNA
SCHEMBL1790337 0.75 ALDH1A1 (0.49) SMN1; SMN2RAB9AMAPTNPC1HTT
SCHEMBL824767 0.75 HPGD (0.40) SMN1; SMN2RAB9AMAPTNPC1HTT
SCHEMBL14401952 0.74 GPR27 (0.44) SMN1; SMN2RAB9AMAPTLMNAKMT2A
SCHEMBL21780674 0.73 CYP1A2 (0.51) SMN1; SMN2RAB9AMAPTNPC1HTT
SCHEMBL824765 0.73 MAPT (0.45) SMN1; SMN2RAB9AMAPTNPC1HTT
SCHEMBL1785947 0.73 MAPT (0.51) SMN1; SMN2RAB9AMAPTNPC1HTT
SCHEMBL10153998 0.73 ALDH1A1 (0.51) SMN1; SMN2RAB9ANPC1LMNAKMT2A
SCHEMBL17979816 0.71 MAPT (0.54) SMN1; SMN2MAPTNPC1HTTLMNA

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 8 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
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 SMN1; SMN2 4189/4885RAB9A 3391/4885MAPT 3539/4885

“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.