SCHEMBL6088404

SCHEMBL6088404

COc1ccc(CC(=O)Nc2ccc3c(c2)/C(=C2/C(=O)Nc4ccccc42)OC3)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.49
PPIA P62937 1/20 0.46
KDR P35968 2/20 0.46
MAPT P10636 5/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 1/20 0.46
NLRP3 Q96P20 2/20 0.45
LMNA P02545 2/20 0.44
DRD2 P14416 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL6088413 1.00 ROCK2 (0.49) ROCK2PPIAKDRMAPTALDH1A1
SCHEMBL6087977 0.83 KDM4E (0.54) MAPTALDH1A1SMN1; SMN2RAB9ALMNA
SCHEMBL6087979 0.83 KDM4E (0.54) MAPTALDH1A1SMN1; SMN2RAB9ALMNA
SCHEMBL6105082 0.81 ALDH1A1 (0.47) PPIAKDRMAPTALDH1A1SMN1; SMN2
SCHEMBL6105079 0.81 ALDH1A1 (0.47) PPIAKDRMAPTALDH1A1SMN1; SMN2
Cyclopropane SCHEMBL14715505 0.79 KDR (0.40) PPIAKDRMAPTALDH1A1LMNA
SCHEMBL6087897 0.79 CASP3 (0.49) KDRMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL6087901 0.79 CASP3 (0.49) KDRMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL6086596 0.78 BRD4 (0.43) PPIAMAPTLMNARXFP1MEN1
SCHEMBL6086594 0.78 BRD4 (0.43) PPIAMAPTLMNARXFP1MEN1

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 8 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
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
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 ROCK2 275/4885PPIA 1514/4885KDR 320/4885
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 ROCK2 265/4885PPIA 1481/4885KDR 320/4885

“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.