SCHEMBL3083161

SCHEMBL3083161

CC1(O)C(=O)Nc2c1ccc(F)c2F

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
CASP6 P55212 1/20 0.33
EPHX2 P34913 1/20 0.32
HDAC4 P56524 1/20 0.32
MDM2 Q00987 2/20 0.32
AKR1B1 P15121 1/20 0.31
PDK2 Q15119 2/20 0.31
DAO P14920 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
PDK1 Q15118 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 1/20 0.30

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
SCHEMBL11730433 0.79 AKR1B1 (0.47) POLBCASP6EPHX2AKR1B1PDK2
SCHEMBL3086722 0.78 BRD4 (0.36) POLBCASP6HDAC4MDM2AKR1B1
SCHEMBL3093852 0.78 BRD4 (0.35) POLBCASP6HDAC4
SCHEMBL3086899 0.77 ALDH1A1 (0.33) POLBCASP6PDK2
SCHEMBL31003828 0.76 ALDH1A1 (0.34) POLBCASP6
SCHEMBL3093599 0.76 POLB (0.30) POLBCASP6
SCHEMBL3078083 0.75 BRD4 (0.34)
SCHEMBL3085322 0.74 MMP2 (0.53) POLBCASP6AKR1B1
SCHEMBL3082783 0.73 MDM2 (0.30) MDM2
SCHEMBL3080791 0.73 MMP2 (0.35) EPHX2

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 POLB 2212/4885CASP6 2159/4885EPHX2 4184/4885

“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.