SCHEMBL285703

SCHEMBL285703

CCOC(=O)c1c(CCC(F)(F)F)noc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
TP53 P04637 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 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
SCHEMBL285589 0.83 ALDH1A1 (0.44) L3MBTL1ALDH1A1SMN1; SMN2NPSR1HTT
SCHEMBL108853 0.81 ALDH1A1 (0.42) L3MBTL1ALDH1A1SMN1; SMN2NPSR1HTT
SCHEMBL860192 0.80 L3MBTL1 (0.54) L3MBTL1ALDH1A1SMN1; SMN2NPSR1NPC1
SCHEMBL11553665 0.79 SLC26A6 (0.47) L3MBTL1ALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL11551455 0.78 NPC1 (0.55) L3MBTL1SMN1; SMN2POLBNPC1RAB9A
SCHEMBL11552443 0.78 MAPT (0.46) L3MBTL1ALDH1A1SMN1; SMN2NPSR1HTT
SCHEMBL11554375 0.77 TP53 (0.46) ALDH1A1HTTLMNAMEN1POLB
SCHEMBL23641869 0.77 ALDH1A1 (0.45) L3MBTL1ALDH1A1SMN1; SMN2NPSR1HTT
SCHEMBL30999051 0.77 HDAC4 (0.40) MLYCDALDH1A1HTTLMNAPOLB
SCHEMBL3380953 0.76 IDO1 (0.46) MLYCDALDH1A1SMN1; SMN2NPSR1HTT

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-2427457-B1 ISOXAZOLE-PYRIDINE DERIVATIVES AS GABA MODULATORS HOFFMANN LA ROCHE (CH) 2013-07-17 EP disclosed
US-8357703-B2 Pyridines HOFFMANN-LA ROCHE INC. (US) 2013-01-22 US disclosed
EP-2427457-A1 ISOXAZOLE-PYRIDINE DERIVATIVES AS GABA MODULATORS F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed
WO-2010127978-A1 ISOXAZOLE-PYRIDINE DERIVATIVES AS GABA MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO disclosed
US-20100286117-A1 PYRIDINES ROCHE PALO ALTO LLC 2010-11-11 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 (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-20100286117-A1 PYRIDINES GABRA5, GABRA1, GABRA4 MLYCD 3264/4885L3MBTL1 4747/4885ALDH1A1 459/4885

“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.