SCHEMBL6086598

SCHEMBL6086598

O=C(CN1CCOCC1)Nc1ccc2c(c1)C(=C1C(=O)Nc3ccc(Cl)cc31)OC2

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 5/20 0.49
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPK1 P28482 1/20 0.48
PARP1 P09874 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL6086592 1.00 PAK1 (0.49) PAK1ALDH1A1GAANPSR1MAPK1
SCHEMBL6087877 0.93 ALDH1A1 (0.48) PAK1ALDH1A1GAANPSR1MAPK1
SCHEMBL6086276 0.93 ALDH1A1 (0.48) PAK1ALDH1A1GAANPSR1MAPK1
SCHEMBL6086625 0.92 HPGD (0.49) PAK1ALDH1A1MEN1POLBKMT2A
SCHEMBL14725080 0.92 HPGD (0.49) PAK1ALDH1A1MEN1POLBKMT2A
SCHEMBL6087714 0.92 POLB (0.47) PAK1ALDH1A1NPSR1POLBKMT2A
SCHEMBL6086632 0.92 HPGD (0.49) PAK1ALDH1A1MEN1POLBKMT2A
SCHEMBL6087719 0.92 POLB (0.47) PAK1ALDH1A1NPSR1POLBKMT2A
SCHEMBL6087269 0.85 HPGD (0.49) PAK1ALDH1A1MEN1POLBKMT2A
SCHEMBL6087266 0.85 HPGD (0.49) PAK1ALDH1A1MEN1POLBKMT2A

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 PAK1 137/4885ALDH1A1 1528/4885GAA 3309/4885
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 PAK1 125/4885ALDH1A1 1606/4885GAA 3160/4885

“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.