SCHEMBL6086950

SCHEMBL6086950

CCOC(=O)NCC1OC(=C2C(=O)Nc3ccccc32)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
ALDH1A1 P00352 8/20 0.41
KDM4E B2RXH2 7/20 0.41
HPGD P15428 3/20 0.41
GAA P10253 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.39
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
CCKBR P32239 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDR P35968 1/20 0.37
ABL1 P00519 1/20 0.37
RET P07949 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
SCHEMBL6086948 1.00 IDO1 (0.45) IDO1TDO2ALDH1A1KDM4EHPGD
SCHEMBL14725043 0.85 TAOK1 (0.35) IDO1TDO2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6087424 0.85 TAOK1 (0.35) IDO1TDO2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6087420 0.85 TAOK1 (0.35) IDO1TDO2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL14725077 0.81 TAOK1 (0.33) IDO1TDO2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6087058 0.81 TAOK1 (0.33) IDO1TDO2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6087055 0.81 TAOK1 (0.33) IDO1TDO2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6104185 0.79 OPRM1 (0.44) ALDH1A1HPGDGAAMAPTCYP1A2
SCHEMBL6086671 0.78 APEX1 (0.43) IDO1TDO2ALDH1A1KDM4EHPGD
SCHEMBL6086673 0.78 APEX1 (0.43) IDO1TDO2ALDH1A1KDM4EHPGD

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 6 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 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
EP-1490356-A1 (3Z)-3-(3-HYDRO-ISOBENZOFURAN-1-YLIDENE)-1,3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS Allergan, Inc. (US) 2004-12-29 EP disclosed
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 disclosed
WO-2003084951-A1 (3Z) -3-(3-HYDRO-ISOBENZOFURAN-1-YLIDENE)-1, 3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2003-10-16 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 (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 IDO1 213/4885TDO2 751/4885ALDH1A1 1528/4885
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 IDO1 235/4885TDO2 780/4885ALDH1A1 1606/4885

“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.