SCHEMBL13118317

SCHEMBL13118317

CC(=O)N(C)c1ccc2cc(C)[nH]c(=O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
GAA P10253 1/20 0.49
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 2/20 0.37
CYP2D6 P10635 1/20 0.36
PARP1 P09874 2/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
NSD2 O96028 1/20 0.35
ELANE P08246 1/20 0.34
PDK2 Q15119 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.33
SRC P12931 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL13118318 0.80 POLB (0.40) KDM4EPOLBNPSR1HSD17B10ALDH1A1
SCHEMBL824649 0.72 KDM4E (0.63) KDM4EGAAPOLBHSD17B10ALDH1A1
SCHEMBL13118308 0.72 KDM4E (0.61) KDM4EGAAPOLBHSD17B10ALDH1A1
SCHEMBL29914786 0.69 KDM4E (0.59) KDM4EGAASMN1; SMN2PARP1
SCHEMBL1719777 0.69 GAA (0.59) KDM4EGAASMN1; SMN2PARP1
SCHEMBL13118310 0.69 KDM4E (0.59) KDM4EGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL1719909 0.69 KDM4E (0.59) KDM4EGAASMN1; SMN2PARP1
SCHEMBL13118309 0.69 KDM4E (0.59) KDM4EGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL7712968 0.69 NSD2 (0.74) KDM4EHSD17B10ALDH1A1RAB9ANSD2
SCHEMBL13118316 0.68 KDM4E (0.49) KDM4EGAAALDH1A1RAB9APARP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820693-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-10-26 US disclosed
US-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-01-29 US 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-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE NQO1, NR5A1, SRD5A1 KDM4E 3057/4885GAA 2468/4885POLB 467/4885

“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.