SCHEMBL2834193

SCHEMBL2834193

Nn1c(CN2CCCC2=O)c(C(=O)O)c2ccccc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 1/20 0.43
TSHR P16473 3/20 0.43
POLB P06746 3/20 0.41
ALDH1A1 P00352 3/20 0.41
PER2 O15055 3/20 0.40
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RCE1 Q9Y256 1/20 0.37
GRK2 P25098 1/20 0.37
MAPK1 P28482 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL2677165 0.84 L3MBTL1 (0.47) L3MBTL1HTTTSHRPOLBALDH1A1
SCHEMBL2830538 0.84 BDKRB1 (0.41) L3MBTL1HTTTSHRPOLBALDH1A1
SCHEMBL2171285 0.81 TACR3 (0.45) TSHRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2834203 0.81 HTT (0.42) L3MBTL1HTTTSHRPOLBALDH1A1
SCHEMBL2833712 0.79 TSHR (0.42) L3MBTL1HTTTSHRPOLBALDH1A1
SCHEMBL1718109 0.74 L3MBTL1 (0.40) L3MBTL1HTTTSHRPOLBALDH1A1
SCHEMBL2674631 0.74 ALDH1A1 (0.40) L3MBTL1HTTTSHRPOLBALDH1A1
SCHEMBL2676781 0.71 L3MBTL1 (0.42) L3MBTL1HTTTSHRPOLBALDH1A1
SCHEMBL2677599 0.70 MEN1 (0.40) L3MBTL1POLBALDH1A1PER2MEN1
SCHEMBL2830636 0.70 CNR2 (0.38) L3MBTL1TSHRPOLBPER2MEN1

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 4 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 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 L3MBTL1 4491/4885HTT 636/4885TSHR 1316/4885

“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.