SCHEMBL2830643

SCHEMBL2830643

CCCCn1c(C)c(C(=O)O)c2ccccc2c1=O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
PGR P06401 4/20 0.56
RORA P35398 3/20 0.56
RORC P51449 3/20 0.56
RORB Q92753 3/20 0.56
KDM4E B2RXH2 3/20 0.53
HSD17B10 Q99714 1/20 0.53
CNR2 P34972 5/20 0.50
CNR1 P21554 2/20 0.50
NPC1 O15118 2/20 0.50
LMNA P02545 2/20 0.49
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL2835070 0.96 L3MBTL1 (0.56) TDP1L3MBTL1MEN1KMT2APGR
SCHEMBL2834290 0.91 MEN1 (0.49) TDP1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL2831355 0.85 ALDH1A1 (0.65) TDP1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL28603120 0.83 L3MBTL1 (0.55) TDP1L3MBTL1PGRRORARORC
SCHEMBL2832041 0.82 ALDH1A1 (0.52) TDP1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL2834167 0.82 ALDH1A1 (0.63) TDP1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL2831869 0.82 MAPT (0.44) TDP1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL2149951 0.80 CNR2 (0.54) TDP1L3MBTL1MEN1KMT2ACNR2
SCHEMBL3350444 0.79 SMN1; SMN2 (0.58) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL2149061 0.79 MEN1 (0.41) TDP1L3MBTL1MEN1KMT2APGR

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
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
WO-2010028655-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2010-03-18 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-20100076016-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS KCNQ3, KCNK3, GRIK3 TDP1 2863/4885L3MBTL1 4491/4885MEN1 2461/4885

“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.