SCHEMBL6086594

SCHEMBL6086594

CC(C)(C)OC(=O)Nc1ccc2c(c1)/C(=C1/C(=O)Nc3ccccc31)OC2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.43
CREBBP Q92793 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
MAPK10 P53779 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NR3C1 P04150 3/20 0.38
PGR P06401 3/20 0.38
MAPT P10636 1/20 0.38
NR1I3 Q14994 5/20 0.38
PPIA P62937 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NR3C2 P08235 2/20 0.36

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
SCHEMBL6086596 1.00 BRD4 (0.43) BRD4CREBBPCA12CA1CA9
SCHEMBL14725079 0.90 PPIA (0.37) BRD4CREBBPMAPK10MEN1KMT2A
SCHEMBL6087306 0.89 MEN1 (0.42) BRD4CREBBPCA12CA1CA9
SCHEMBL6087305 0.89 MEN1 (0.42) BRD4CREBBPCA12CA1CA9
SCHEMBL6105082 0.86 ALDH1A1 (0.47) MEN1KMT2AMAPTPPIAKDM4E
SCHEMBL6105079 0.86 ALDH1A1 (0.47) MEN1KMT2AMAPTPPIAKDM4E
Cyclopropane SCHEMBL14715505 0.84 KDR (0.40) MEN1KMT2AMAPTPPIARXFP1
SCHEMBL6087979 0.82 KDM4E (0.54) MEN1KMT2AMAPTRXFP1KDM4E
SCHEMBL6087977 0.82 KDM4E (0.54) MEN1KMT2AMAPTRXFP1KDM4E
SCHEMBL6086833 0.81 CSNK1G1 (0.39) BRD4MEN1KMT2AMAPTPPIA

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 4 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
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 BRD4 680/4885CREBBP 1272/4885CA12 4481/4885
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 BRD4 675/4885CREBBP 1239/4885CA12 4507/4885

“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.