SCHEMBL824682

SCHEMBL824682

O=C(CN1CCOCC1)Nc1ccc2cc(-c3ccccc3)[nH]c(=O)c2c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56
ALDH1A1 P00352 7/20 0.55
KDM4E B2RXH2 2/20 0.53
WNT3A P56704 1/20 0.52
HPGD P15428 2/20 0.52
POLB P06746 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52
RAB9A P51151 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPT P10636 2/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDR P35968 1/20 0.50
JAK3 P52333 1/20 0.50

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
SCHEMBL824680 0.88 SMN1; SMN2 (0.52) PARP1SMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL824906 0.82 NPY5R (0.52) PARP1KDM4EMEN1KMT2ANPC1
SCHEMBL824730 0.81 PDE10A (0.53) PARP1POLBMEN1KMT2AMAPT
SCHEMBL824677 0.80 PDE10A (0.52) PARP1POLBMEN1KMT2AMAPT
SCHEMBL824676 0.80 ALDH1A1 (0.52) PARP1SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL6690254 0.79 PARP1 (0.65) PARP1SMN1; SMN2LMNAALDH1A1POLB
SCHEMBL2712131 0.78 PDE10A (0.48) PARP1KDM4EMEN1KMT2AMAPT
SCHEMBL2712188 0.78 PDE10A (0.50) PARP1KDM4EPOLBMEN1KMT2A
SCHEMBL824674 0.77 CYP2C19 (0.55) PARP1SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL824750 0.77 PARP1 (0.61) PARP1ALDH1A1

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 PARP1 4305/4885SMN1; 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.