SCHEMBL285668

SCHEMBL285668

CCOC(=O)c1c(C2CCCCC2)noc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 8/20 0.43
KDM4E B2RXH2 3/20 0.43
CYP1A2 P05177 1/20 0.43
HTT P42858 2/20 0.42
CACNA1F O60840 2/20 0.41
CACNA1D Q01668 2/20 0.41
CACNA1S Q13698 2/20 0.41
CACNA1C Q13936 2/20 0.41
ATM Q13315 1/20 0.41
ADORA3 P0DMS8 3/20 0.40
TSHR P16473 2/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 2/20 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
SCHEMBL285476 0.99 L3MBTL1 (0.45) L3MBTL1ALDH1A1KDM4ECYP1A2HTT
SCHEMBL285617 0.87 ALDH1A1 (0.40) L3MBTL1ALDH1A1KDM4ECYP1A2HTT
SCHEMBL19900847 0.86 ADORA3 (0.39) L3MBTL1ALDH1A1KDM4EHTTADORA3
SCHEMBL2006487 0.86 ADORA3 (0.40) L3MBTL1ALDH1A1KDM4EHTTCACNA1F
SCHEMBL5736534 0.80 ALDH1A1 (0.41) L3MBTL1ALDH1A1HTTLMNAKMT2A
SCHEMBL2775492 0.80 ALDH1A1 (0.38) ALDH1A1KDM4EHTTADORA3TSHR
SCHEMBL11520965 0.79 ALDH1A1 (0.40) L3MBTL1ALDH1A1HTTTSHRLMNA
SCHEMBL31526291 0.77 L3MBTL1 (0.44) L3MBTL1ALDH1A1KDM4ECYP1A2HTT
SCHEMBL11542180 0.77 ALDH1A1 (0.44) L3MBTL1ALDH1A1HTTTSHRLMNA
SCHEMBL19900019 0.74 TSHR (0.37) L3MBTL1ALDH1A1KDM4EHTTTSHR

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 L3MBTL1 4747/4885ALDH1A1 459/4885KDM4E 1006/4885

“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.