SCHEMBL2833409

SCHEMBL2833409

Cc1c(C(=O)O)c2ccccc2c(=O)n1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
GAA P10253 2/20 0.49
POLB P06746 4/20 0.46
HTT P42858 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.41
ATM Q13315 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
RORA P35398 1/20 0.40
RORC P51449 1/20 0.40
RORB Q92753 1/20 0.40
TSHR P16473 1/20 0.38
GFER P55789 1/20 0.38
NPY5R Q15761 1/20 0.38
MYC P01106 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL16345505 0.82 KDM4E (0.61) KDM4EGAAPOLBHTTALDH1A1
SCHEMBL2834258 0.80 KDM4E (0.43) KDM4EGAAPOLBHTTALDH1A1
SCHEMBL2831858 0.78 ATM (0.52) KDM4EGAAHTTL3MBTL1ALDH1A1
SCHEMBL2835055 0.77 KDM4E (0.40) KDM4EGAAPOLBHTTL3MBTL1
SCHEMBL2832896 0.77 KDM4E (0.47) KDM4EGAAHTTL3MBTL1ALDH1A1
SCHEMBL12168225 0.76 POLB (0.62) KDM4EGAAPOLBHTTL3MBTL1
SCHEMBL1718433 0.75 GAA (0.60) KDM4EGAAHTTL3MBTL1ALDH1A1
SCHEMBL2834167 0.75 ALDH1A1 (0.63) KDM4EPOLBHTTL3MBTL1ALDH1A1
SCHEMBL2831244 0.74 KAT2A (0.42) KDM4EPOLBHTTL3MBTL1ALDH1A1
SCHEMBL15174921 0.72 KDM4E (0.47) KDM4EGAAPOLBHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342182-B1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS LUNDBECK & CO AS H (DK) 2012-11-14 EP claimed
US-8242134-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-08-14 US claimed
US-20100076016-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2010-03-25 US claimed
WO-2010028655-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2010-03-18 WO claimed
EP-2342182-B1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS LUNDBECK & CO AS H (DK) 2012-11-14 EP disclosed
US-8242134-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-08-14 US disclosed
US-20100076016-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2010-03-25 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-20100076016-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS KCNQ3, KCNK3, GRIK3 KDM4E 2545/4885GAA 1411/4885POLB 3744/4885

“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.