SCHEMBL288742

SCHEMBL288742

Cc1onc(-c2ccccn2)c1COc1ccc(C(=O)O)nc1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 15/20 0.65
ITGA5 P08648 2/20 0.51
P4HTM Q9NXG6 1/20 0.51
GAA P10253 1/20 0.46
POLB P06746 1/20 0.44
MDM2 Q00987 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL288200 0.90 GABRA5 (0.66) GABRA5ITGA5POLBMDM2SMN1; SMN2
SCHEMBL289211 0.89 GABRA5 (0.57) GABRA5ITGA5POLBMDM2SMN1; SMN2
SCHEMBL288771 0.87 GABRA5 (0.55) GABRA5ITGA5POLBMDM2SMN1; SMN2
SCHEMBL288662 0.87 GABRA5 (0.68) GABRA5ITGA5
SCHEMBL287894 0.87 GABRA5 (0.56) GABRA5P4HTM
SCHEMBL287977 0.86 GABRA5 (0.55) GABRA5ITGA5POLBMDM2SMN1; SMN2
SCHEMBL288559 0.85 GABRA5 (0.54) GABRA5ITGA5
SCHEMBL288663 0.85 GABRA5 (0.54) GABRA5ITGA5POLBMDM2SMN1; SMN2
SCHEMBL287698 0.85 GABRA5 (0.69) GABRA5ITGA5
SCHEMBL288233 0.84 GABRA5 (0.66) GABRA5ITGA5P4HTMGAA

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
EP-2427456-B1 ISOXAZOLE-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-02-05 EP claimed
US-8415379-B2 Pyridines HOFFMANN-LA ROCHE INC. (US) 2013-04-09 US claimed
US-20100286132-A1 PYRIDINES ROCHE PALO ALTO LLC 2010-11-11 US claimed
WO-2010127976-A1 ISOXAZOLE-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO claimed
EP-2427456-B1 ISOXAZOLE-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-02-05 EP disclosed
US-8415379-B2 Pyridines HOFFMANN-LA ROCHE INC. (US) 2013-04-09 US disclosed
EP-2427456-A1 ISOXAZOLE-PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed
US-20100286132-A1 PYRIDINES ROCHE PALO ALTO LLC 2010-11-11 US disclosed
WO-2010127976-A1 ISOXAZOLE-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 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-20100286132-A1 PYRIDINES GABRA5, CHRNA5, GABRA1 GABRA5 1/4885ITGA5 244/4885P4HTM 1558/4885

“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.