SCHEMBL6088166

SCHEMBL6088166

O=C1Nc2ccccc2/C1=C1\OCc2ccc(NCCCO)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
PRKCA P17252 1/20 0.39
GSK3B P49841 1/20 0.39
NTRK1 P04629 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
ALK Q9UM73 2/20 0.36
TOP1 P11387 2/20 0.35
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
PPIA P62937 2/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
CDC25A P30304 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GLA P06280 2/20 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
SCHEMBL6088172 1.00 MAOA (0.41) MAOAPRKCAGSK3BNTRK1CCNA2
SCHEMBL6086859 0.85 NTRK1 (0.42) MAOANTRK1CCNA2CDK2CCNA1
SCHEMBL6086865 0.85 NTRK1 (0.42) MAOANTRK1CCNA2CDK2CCNA1
SCHEMBL6089198 0.85 MAOA (0.44) MAOANTRK1CCNA2CDK2CCNA1
SCHEMBL6089195 0.85 MAOA (0.44) MAOANTRK1CCNA2CDK2CCNA1
SCHEMBL6087346 0.82 MAPK14 (0.47) MEN1KMT2A
SCHEMBL14715812 0.82 NTRK1 (0.39) MAOANTRK1CCNA2CDK2CCNA1
SCHEMBL6086828 0.82 CSNK1G1 (0.39) MAOANTRK1CCNA2CDK2CCNA1
SCHEMBL6086833 0.82 CSNK1G1 (0.39) MAOANTRK1CCNA2CDK2CCNA1
SCHEMBL6105079 0.80 ALDH1A1 (0.47) MAOAGSK3BCDK2CCNA1ALDH1A1

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 10 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-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 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
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 claimed
US-6541504-B1 Modulating tyrosine kinase signal transduction in order to regulate, modulate and/or inhibit abnormal cell proliferation. ALLERGAN SALES, LLC 2003-04-01 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
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
US-6541504-B1 Modulating tyrosine kinase signal transduction in order to regulate, modulate and/or inhibit abnormal cell proliferation. ALLERGAN SALES, LLC 2003-04-01 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 MAOA 1164/4885PRKCA 365/4885GSK3B 187/4885
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 MAOA 1151/4885PRKCA 374/4885GSK3B 178/4885

“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.