SCHEMBL6088653

SCHEMBL6088653

O=C(CN1CCCCC1)OCCNc1ccc2c(c1)CO/C2=C1/C(=O)Nc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PRMT3 O60678 1/20 0.36
NTRK1 P04629 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
TRPV1 Q8NER1 2/20 0.33
PAK1 Q13153 2/20 0.33
PIM1 P11309 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
PDGFRB P09619 1/20 0.32
KIT P10721 1/20 0.32
KDR P35968 1/20 0.32
MCHR1 Q99705 2/20 0.32
PGR P06401 1/20 0.32
NR1I3 Q14994 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
SCHEMBL6088655 1.00 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2PRMT3NTRK1CCNA2
SCHEMBL6086841 0.93 MEN1 (0.41) NTRK1CCNA2CDK2CCNA1PAK1
SCHEMBL6086846 0.93 MEN1 (0.41) NTRK1CCNA2CDK2CCNA1PAK1
SCHEMBL6086835 0.93 LMNA (0.37) ALDH1A1SMN1; SMN2NTRK1CCNA2CDK2
SCHEMBL6086825 0.93 LMNA (0.37) ALDH1A1SMN1; SMN2NTRK1CCNA2CDK2
SCHEMBL14725076 0.92 NTRK1 (0.33) PRMT3NTRK1CCNA2CDK2CCNA1
SCHEMBL6087054 0.86 APAF1 (0.39) SMN1; SMN2PRMT3NTRK1CCNA2CDK2
SCHEMBL6087049 0.86 APAF1 (0.39) SMN1; SMN2PRMT3NTRK1CCNA2CDK2
SCHEMBL6087293 0.85 NTRK1 (0.38) ALDH1A1SMN1; SMN2NTRK1CCNA2CDK2
SCHEMBL6087297 0.85 NTRK1 (0.38) ALDH1A1SMN1; SMN2NTRK1CCNA2CDK2

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 5 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
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
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

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 1528/4885SMN1; SMN2 4621/4885PRMT3 867/4885
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 1606/4885SMN1; SMN2 4617/4885PRMT3 884/4885

“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.