SCHEMBL3072783

SCHEMBL3072783

COc1ccc(C2(O)C(=O)Nc3c2ccc(F)c3F)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.42
POLB P06746 1/20 0.40
CASP6 P55212 1/20 0.40
SCN9A Q15858 1/20 0.37
FLI1 Q01543 2/20 0.36
EWSR1 Q01844 2/20 0.36
MMP2 P08253 3/20 0.35
MMP9 P14780 3/20 0.35
MMP8 P22894 2/20 0.35
ERG P11308 1/20 0.35
ETV1 P50549 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
HTR6 P50406 3/20 0.34
MMP13 P45452 1/20 0.33
AKR1A1 P14550 1/20 0.33
AKR1B1 P15121 1/20 0.33

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
SCHEMBL31003710 0.84 SLC6A4 (0.40) POLBCASP6MMP2MMP9MMP8
SCHEMBL5478134 0.83 POLB (0.41) BRD4POLBCASP6MMP2MMP9
SCHEMBL31003697 0.82 POLB (0.36) BRD4POLBCASP6
SCHEMBL31184813 0.82 POLB (0.40) BRD4POLBCASP6KMT2AMEN1
SCHEMBL3202505 0.81 CNR1 (0.50) MMP2MMP9
SCHEMBL3096321 0.80 POLB (0.47) BRD4POLBCASP6SCN9AMMP8
SCHEMBL31185046 0.80 POLB (0.42) BRD4POLBCASP6
SCHEMBL3093541 0.79 MMP13 (0.47) POLBCASP6MMP2MMP13
SCHEMBL3096028 0.79 POLB (0.37) BRD4POLBCASP6
SCHEMBL3088897 0.78 POLB (0.52) BRD4POLBCASP6MMP8KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100227863-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE COMPOUNDS TOPOTARGET A/S (DK) 2010-09-09 US disclosed
US-20100227863-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE COMPOUNDS TOPOTARGET A/S (DK) 2010-09-09 US disclosed
US-20100227863-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE COMPOUNDS TOPOTARGET A/S (DK) 2010-09-09 US disclosed
EP-2139856-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE-COMPOUNDS Topotarget A/S (DK) 2010-01-06 EP disclosed
WO-2008129075-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE-COMPOUNDS TOPOTARGET A/S (DK) 2008-10-30 WO disclosed
WO-2008129075-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE-COMPOUNDS TOPOTARGET A/S (DK) 2008-10-30 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 (1 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-20100227863-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE COMPOUNDS TPH2, TPH1, HTR2C BRD4 616/4885POLB 2212/4885CASP6 2159/4885

“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.