SCHEMBL286587

SCHEMBL286587

CCCCc1noc(C)c1COc1ccc(C(=O)NCCC)nn1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 19/20 0.56
ITGA5 P08648 1/20 0.46

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
SCHEMBL286627 0.89 GABRA1 (0.54) GABRA1
SCHEMBL286586 0.88 GABRA1 (0.62) GABRA1
SCHEMBL286449 0.87 GABRA1 (0.48) GABRA1
SCHEMBL286795 0.86 GABRA1 (0.48) GABRA1
SCHEMBL287021 0.85 GABRA1 (0.59) GABRA1
SCHEMBL286260 0.85 GABRA1 (0.54) GABRA1
SCHEMBL286574 0.85 GABRA1 (0.54) GABRA1
SCHEMBL286683 0.85 GABRA1 (0.54) GABRA1
SCHEMBL286650 0.85 GABRA1 (0.48) GABRA1
SCHEMBL286532 0.84 GABRA1 (0.67) GABRA1ITGA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410104-B2 Pyridazines HOFFMANN-LA ROCHE INC. (US) 2013-04-02 US claimed
EP-2427458-A1 ISOXAZOLE-PYRIDAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-03-14 EP claimed
WO-2010127968-A1 ISOXAZOLE-PYRIDAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO claimed
US-20100286159-A1 PYRIDAZINES ROCHE PALO ALTO LLC 2010-11-11 US claimed
EP-2427458-B1 Isoxazole-pyridazine derivatives HOFFMANN LA ROCHE (CH) 2014-05-07 EP disclosed
US-8410104-B2 Pyridazines HOFFMANN-LA ROCHE INC. (US) 2013-04-02 US disclosed
EP-2427458-A1 ISOXAZOLE-PYRIDAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed
WO-2010127968-A1 ISOXAZOLE-PYRIDAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO disclosed
US-20100286159-A1 PYRIDAZINES 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-20100286159-A1 PYRIDAZINES GABRA5, CHRNA5, GRIK5 GABRA1 4/4885ITGA5 145/4885

“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.