SCHEMBL21496795

SCHEMBL21496795

FC(F)(F)c1ccc2[nH]c(Br)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 3/20 0.43
KIF11 P52732 6/20 0.42
KDM4E B2RXH2 2/20 0.42
METAP2 P50579 1/20 0.42
DGAT1 O75907 2/20 0.41
KCNH2 Q12809 2/20 0.41
CHUK O15111 1/20 0.41
DYRK1A Q13627 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
CBFB Q13951 1/20 0.39
BACE1 P56817 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.38

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
SCHEMBL21500616 0.86 NPBWR1 (0.58) NPBWR1DGAT1KCNH2DYRK1ADYRK1B
SCHEMBL5681855 0.80 NPSR1 (0.59) NPBWR1KIF11KDM4EMETAP2DGAT1
SCHEMBL711944 0.79 NPBWR1 (0.43) NPBWR1KIF11KDM4EMETAP2DGAT1
SCHEMBL2711960 0.79 KDM4E (0.50) NPBWR1KIF11KDM4EMETAP2DGAT1
SCHEMBL30218684 0.79 MASP2 (0.48) NPBWR1KIF11KDM4EMETAP2DGAT1
SCHEMBL2360716 0.79 MASP2 (0.48) NPBWR1KIF11KDM4EMETAP2DGAT1
SCHEMBL5679579 0.79 MAPT (0.57) NPBWR1KIF11KDM4EMETAP2DGAT1
SCHEMBL18628731 0.79 NPBWR1 (0.43) NPBWR1KIF11KDM4EMETAP2DGAT1
SCHEMBL666767 0.79 NPBWR1 (0.43) NPBWR1KIF11KDM4EMETAP2DGAT1
SCHEMBL10325105 0.78 NPBWR1 (0.58) NPBWR1DGAT1KCNH2

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-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS VALO HEALTH, INC. 2023-08-03 US disclosed
US-11535607-B2 Isoindolines as HDAC inhibitors VALO HEALTH, INC. (US) 2022-12-27 US disclosed
US-20210253555-A1 ISOINDOLINES AS HDAC INHIBITORS VALO EARLY DISCOVERY, INC. (US) 2021-08-19 US disclosed
EP-3784654-A1 ISOINDOLINES AS HDAC INHIBITORS Valo Early Discovery, Inc. (US) 2021-03-03 EP disclosed
CN-112292370-A Isoindolines as HDAC inhibitors 瓦洛早期发现股份有限公司 2021-01-29 CN disclosed
WO-2019204550-A1 ISOINDOLINES AS HDAC INHIBITORS FORMA THERAPEUTICS, INC. (US) 2019-10-24 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 (3 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-11535607-B2 Isoindolines as HDAC inhibitors HDAC1, HDAC2, HDAC3 NPBWR1 2624/4885KIF11 2336/4885KDM4E 223/4885
US-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 NPBWR1 2819/4885KIF11 2147/4885KDM4E 204/4885
US-20210253555-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 NPBWR1 2624/4885KIF11 2336/4885KDM4E 223/4885

“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.