SCHEMBL6087556

SCHEMBL6087556

CC(=O)Nc1ccc2c(c1)COC2=C1C(=O)Nc2ccc(Cl)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.51
IDO1 P14902 2/20 0.42
TDO2 P48775 2/20 0.42
TGM2 P21980 2/20 0.42
KDR P35968 3/20 0.42
GSK3B P49841 1/20 0.41
BAZ2B Q9UIF8 1/20 0.40
PDPK1 O15530 1/20 0.40
PKM P14618 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NPC1 O15118 2/20 0.40
AAK1 Q2M2I8 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.39
ADRA2A P08913 1/20 0.39
MAOA P21397 1/20 0.39
SLC6A2 P23975 1/20 0.39

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
SCHEMBL6087551 1.00 LRRK2 (0.51) LRRK2IDO1TDO2TGM2KDR
SCHEMBL6089352 0.92 LRRK2 (0.51) LRRK2IDO1TDO2TGM2KDR
SCHEMBL6089358 0.92 LRRK2 (0.51) LRRK2IDO1TDO2TGM2KDR
SCHEMBL14725111 0.89 MAPT (0.47) LRRK2KDRAAK1KDM4EMAPT
SCHEMBL6088084 0.87 MAOA (0.48) GSK3BBAZ2BPDPK1NPC1AAK1
SCHEMBL6088089 0.87 MAOA (0.48) GSK3BBAZ2BPDPK1NPC1AAK1
SCHEMBL6088108 0.87 TGM2 (0.42) LRRK2IDO1TDO2TGM2KDR
SCHEMBL6088110 0.87 TGM2 (0.42) LRRK2IDO1TDO2TGM2KDR
SCHEMBL6087438 0.87 KDR (0.42) LRRK2KDRNPC1KDM4EMAPT
SCHEMBL6087431 0.87 KDR (0.42) LRRK2KDRNPC1KDM4EMAPT

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-1490356-B1 (3Z)-3-(3-HYDRO-ISOBENZOFURAN-1-YLIDENE)-1,3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS ALLERGAN INC (US) 2013-02-27 EP claimed
US-20040019098-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2004-01-29 US claimed
US-6541504-B1 Modulating tyrosine kinase signal transduction in order to regulate, modulate and/or inhibit abnormal cell proliferation. ALLERGAN SALES, LLC 2003-04-01 US claimed
EP-1490356-B1 (3Z)-3-(3-HYDRO-ISOBENZOFURAN-1-YLIDENE)-1,3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS ALLERGAN INC (US) 2013-02-27 EP disclosed
US-7060844-B2 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2006-06-13 US disclosed
US-20060004084-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-01-05 US disclosed
US-6541504-B1 Modulating tyrosine kinase signal transduction in order to regulate, modulate and/or inhibit abnormal cell proliferation. ALLERGAN SALES, LLC 2003-04-01 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 (2 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-20060004084-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors CDK2, ERBB2, MAP3K3 LRRK2 545/4885IDO1 213/4885TDO2 751/4885
US-20040019098-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors CDK2, ERBB2, MAP3K3 LRRK2 497/4885IDO1 235/4885TDO2 780/4885

“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.