SCHEMBL824765

SCHEMBL824765

CNC(=O)c1c(C)ccc(N2CCOCC2)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.45
SMN1; SMN2 Q16637 8/20 0.45
LMNA P02545 6/20 0.45
TSHR P16473 2/20 0.45
AKR1C3 P42330 1/20 0.45
HTT P42858 6/20 0.45
CYP2C9 P11712 2/20 0.45
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
ALDH1A1 P00352 7/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MITF O75030 1/20 0.44
G6PD P11413 1/20 0.44
ALOX12 P18054 1/20 0.44
MC4R P32245 1/20 0.44
TLR9 Q9NR96 1/20 0.44
ITGA4 P13612 1/20 0.44

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
SCHEMBL824767 0.77 HPGD (0.40) MAPTSMN1; SMN2LMNATSHRHTT
SCHEMBL824836 0.73 SMN1; SMN2 (0.50) MAPTSMN1; SMN2LMNATSHRHTT
SCHEMBL28832146 0.73 ALDH3A1 (0.48) MAPTSMN1; SMN2LMNATSHRAKR1C3
SCHEMBL824978 0.71 ALDH1A1 (0.47) MAPTSMN1; SMN2LMNATSHRAKR1C3
SCHEMBL10153998 0.70 ALDH1A1 (0.51) SMN1; SMN2LMNATSHRAKR1C3RAB9A
SCHEMBL824738 0.69 MAPT (0.53) MAPTSMN1; SMN2LMNARAB9ANPC1
SCHEMBL17979816 0.69 MAPT (0.54) MAPTSMN1; SMN2LMNATSHRHTT
SCHEMBL5054924 0.68 PRKDC (0.54) MAPTSMN1; SMN2LMNATSHRAKR1C3
SCHEMBL10153966 0.67 MAPT (0.64) MAPTSMN1; SMN2LMNARAB9ANPC1
SCHEMBL31514189 0.66 ALDH1A1 (0.46) MAPTSMN1; SMN2LMNATSHRHTT

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 MAPT 3539/4885SMN1; 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.