SCHEMBL6086772

SCHEMBL6086772

CNc1ccc2c(c1)COC2=C1C(=O)Nc2cc(Cl)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.42
PPOX P50336 1/20 0.38
TGM2 P21980 1/20 0.36
PKM P14618 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CHEK1 O14757 1/20 0.35
PLK1 P53350 2/20 0.35
MAPK14 Q16539 1/20 0.34
PGR P06401 1/20 0.34
AR P10275 1/20 0.34
NPC1 O15118 1/20 0.33
KDR P35968 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33

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
SCHEMBL6086768 1.00 CES1 (0.42) CES1PPOXTGM2PKMKDM4E
SCHEMBL6088108 0.93 TGM2 (0.42) CES1PPOXTGM2PKMKDM4E
SCHEMBL6088110 0.93 TGM2 (0.42) CES1PPOXTGM2PKMKDM4E
SCHEMBL6086534 0.86 KDM4E (0.38) TGM2PKMKDM4EALDH1A1MAPK14
SCHEMBL6086531 0.86 KDM4E (0.38) TGM2PKMKDM4EALDH1A1MAPK14
SCHEMBL6088077 0.86 NTRK1 (0.44) PKMKDM4EALDH1A1CHEK1MAPK14
SCHEMBL6088081 0.86 NTRK1 (0.44) PKMKDM4EALDH1A1CHEK1MAPK14
SCHEMBL6087255 0.81 MEN1 (0.39) PKMKDM4EALDH1A1MAPK14PGR
SCHEMBL6087251 0.81 MEN1 (0.39) PKMKDM4EALDH1A1MAPK14PGR
SCHEMBL6087551 0.81 LRRK2 (0.51) CES1TGM2PKMKDM4ENPC1

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 8 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
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 CES1 3960/4885PPOX 1944/4885TGM2 3264/4885
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 CES1 4009/4885PPOX 1923/4885TGM2 3164/4885

“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.