SCHEMBL6087240

SCHEMBL6087240

C[C@@H]1CN(CCNc2ccc3c(c2)CO/C3=C2/C(=O)Nc3ccccc32)C[C@H](C)O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
NAMPT P43490 2/20 0.36
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
NTRK1 P04629 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
GAA P10253 2/20 0.34
USP2 O75604 1/20 0.34
MAPK14 Q16539 2/20 0.34
CBLB Q13191 1/20 0.34
PKM P14618 1/20 0.33
TOP1 P11387 2/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL6087243 1.00 ALDH1A1 (0.37) ALDH1A1KDM4ETDP1NAMPTTP53
SCHEMBL14725070 1.00 ALDH1A1 (0.37) ALDH1A1KDM4ETDP1NAMPTTP53
SCHEMBL6801526 0.93 ALDH1A1 (0.37) ALDH1A1KDM4ETDP1NAMPTTP53
SCHEMBL6087853 0.90 MAPK14 (0.40) ALDH1A1KDM4ENAMPTTP53ALOX15
SCHEMBL14715793 0.90 MAPK14 (0.40) ALDH1A1KDM4ENAMPTTP53ALOX15
SCHEMBL6087855 0.90 MAPK14 (0.40) ALDH1A1KDM4ENAMPTTP53ALOX15
SCHEMBL6087093 0.90 PDGFRB (0.40) NAMPTTP53ALOX15MAPK14TOP1
SCHEMBL6087089 0.90 PDGFRB (0.40) NAMPTTP53ALOX15MAPK14TOP1
SCHEMBL6086159 0.87 PDGFRB (0.39) ALDH1A1NTRK1CCNA2CDK2CCNA1
SCHEMBL6086166 0.87 PDGFRB (0.39) ALDH1A1NTRK1CCNA2CDK2CCNA1

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
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 ALDH1A1 1528/4885KDM4E 1074/4885TDP1 1724/4885
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 ALDH1A1 1606/4885KDM4E 1176/4885TDP1 1824/4885

“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.