SCHEMBL5355449

SCHEMBL5355449

O=C(O)NCCNCC(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.64
HTT P42858 2/20 0.64
ALDH1A1 P00352 3/20 0.58
MAPT P10636 5/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
GAA P10253 2/20 0.58
XBP1 P17861 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.55
RAB9A P51151 1/20 0.55
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
NCOR2 Q9Y618 1/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL21580306 0.88 HTT (0.76) L3MBTL1HTTALDH1A1MAPTMEN1
SCHEMBL12020641 0.84 MAPT (0.60) L3MBTL1HTTALDH1A1MAPTMEN1
SCHEMBL12526432 0.84 MAPT (0.67) L3MBTL1HTTALDH1A1MAPTMEN1
SCHEMBL5349955 0.83 AURKB (0.58) L3MBTL1HTTALDH1A1MAPTMEN1
Trifluoroacetic Acid SCHEMBL5355448 0.82 L3MBTL1 (0.58) L3MBTL1HTTALDH1A1MAPTMEN1
SCHEMBL31236338 0.79 MAPT (0.77) L3MBTL1HTTALDH1A1MAPTMEN1
SCHEMBL5142590 0.79 MAPT (0.77) L3MBTL1HTTALDH1A1MAPTMEN1
SCHEMBL13549900 0.78 MAPT (0.67) L3MBTL1HTTALDH1A1MAPTMEN1
SCHEMBL966420 0.78 SMN1; SMN2 (0.68) L3MBTL1HTTALDH1A1MAPTMEN1
SCHEMBL5122417 0.78 LMNA (0.72) L3MBTL1HTTALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660467-B1 2-(4-AMINO-1,2,5-OXADIAZOL-4-YL)-IMIDAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2011-12-07 EP disclosed
US-7157476-B2 Aminofurazan compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-01-02 US disclosed
EP-1660467-A2 AMINOFURAZAN COMPOUNDS AS PROTEIN KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2006-05-31 EP disclosed
US-20050148640-A1 Aminofurazan compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2005-07-07 US disclosed
WO-2005019190-A2 (4 -AMINO -1,2, 5-OXADIAZOL-4-YL) -HETΞROAROMATIC COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-03-03 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-20050148640-A1 Aminofurazan compounds useful as protein kinase inhibitors PHKG1, MAP3K20, MAP3K5 L3MBTL1 4005/4885HTT 1831/4885ALDH1A1 2638/4885

“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.