SCHEMBL6086608

SCHEMBL6086608

O=C(NCCN1CCOCC1)NCC1OC(=C2C(=O)Nc3ccccc32)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.42
LMNA P02545 2/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 4/20 0.41
PDGFRB P09619 2/20 0.41
KDR P35968 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KIT P10721 1/20 0.41
PARP1 P09874 2/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FGFR1 P11362 1/20 0.39
LRRK2 Q5S007 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
SCHEMBL6086603 1.00 SHMT2 (0.42) SHMT2LMNAHSD17B10KDM4EPDGFRB
SCHEMBL6087058 0.85 TAOK1 (0.33) LMNAHSD17B10KDM4EPDGFRBKDR
SCHEMBL6087055 0.85 TAOK1 (0.33) LMNAHSD17B10KDM4EPDGFRBKDR
SCHEMBL14725077 0.85 TAOK1 (0.33) LMNAHSD17B10KDM4EPDGFRBKDR
SCHEMBL6087236 0.83 LRRK2 (0.46) KDM4EPDGFRBALDH1A1L3MBTL1LRRK2
SCHEMBL6087237 0.83 LRRK2 (0.46) KDM4EPDGFRBALDH1A1L3MBTL1LRRK2
SCHEMBL14725087 0.79 ALDH1A1 (0.44) KDM4EALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL6086920 0.79 ALDH1A1 (0.44) KDM4EALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL6086916 0.79 ALDH1A1 (0.44) KDM4EALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL6104185 0.79 OPRM1 (0.44) LMNAALDH1A1MAPTKMT2AMEN1

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 SHMT2 1758/4885LMNA 3833/4885HSD17B10 3034/4885
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 SHMT2 1605/4885LMNA 3822/4885HSD17B10 3073/4885

“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.