SCHEMBL1717550

SCHEMBL1717550

COc1ccccc1-n1c(C)c(C(=O)O)c2ccccc2c1=O

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 4/20 0.67
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
MAPT P10636 7/20 0.53
KDM4E B2RXH2 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
LMNA P02545 3/20 0.50
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 2/20 0.47
HPGD P15428 1/20 0.47
THRB P10828 1/20 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
SCHEMBL1718291 0.85 L3MBTL1 (0.52) ATMMEN1KMT2AMAPTKDM4E
SCHEMBL1718161 0.83 ALDH1A1 (0.52) ATMMEN1KMT2AMAPTKDM4E
SCHEMBL1717230 0.82 NOTUM (0.51) ATMMEN1KMT2AMAPTKDM4E
SCHEMBL2677213 0.81 NOTUM (0.52) ATMMEN1KMT2AMAPTKDM4E
SCHEMBL1717691 0.79 TACR3 (0.54) ATMMEN1KMT2AKDM4EL3MBTL1
SCHEMBL1717541 0.78 MAPT (0.65) ATMMEN1KMT2AMAPTKDM4E
SCHEMBL1718433 0.78 GAA (0.60) ATMMEN1KMT2AMAPTKDM4E
SCHEMBL1717535 0.76 KDM4E (0.62) ATMMEN1KMT2AMAPTKDM4E
SCHEMBL1717212 0.76 MAPT (0.60) ATMMEN1KMT2AMAPTKDM4E
SCHEMBL2561235 0.76 ATM (0.57) ATMMEN1KMT2AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173639-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-05-08 US claimed
EP-2150534-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. Lundbeck A/S (DK) 2010-02-10 EP claimed
US-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2009-06-04 US claimed
WO-2008131779-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2008-11-06 WO claimed
US-8173639-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-05-08 US disclosed
US-8173639-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-05-08 US disclosed
US-8173639-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-05-08 US disclosed
EP-2150534-B1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS LUNDBECK & CO AS H (DK) 2012-01-11 EP disclosed
EP-2150534-B1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS LUNDBECK & CO AS H (DK) 2012-01-11 EP disclosed
EP-2150534-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. Lundbeck A/S (DK) 2010-02-10 EP disclosed
US-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2009-06-04 US disclosed
US-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2009-06-04 US disclosed
US-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2009-06-04 US disclosed
WO-2008131779-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2008-11-06 WO disclosed
WO-2008131779-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2008-11-06 WO 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-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS KCNQ3, KCNK3, GRIK3 ATM 3910/4885MEN1 3960/4885KMT2A 1850/4885

“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.