SCHEMBL298539

SCHEMBL298539

Cn1cc(NC(=O)c2ccc(OCc3c(-c4ccc(F)cc4)noc3CO)cn2)cn1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 12/20 0.51
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
FSCN1 Q16658 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PRKAA2 P54646 1/20 0.38
RAB9A P51151 1/20 0.38
LRRK2 Q5S007 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
SCHEMBL536443 0.84 GABRA5 (0.69) GABRA5
SCHEMBL289168 0.83 GABRA5 (0.53) GABRA5GABRG2GABRB3
SCHEMBL287914 0.83 GABRA1 (0.47) GABRA5
SCHEMBL288243 0.82 CNR1 (0.43) GABRA5GABRG2GABRB3
SCHEMBL289169 0.82 GABRA5 (0.49) GABRA5SMN1; SMN2RAB9A
SCHEMBL288627 0.82 GABRA5 (0.54) GABRA5RAB9A
SCHEMBL287851 0.81 GABRA5 (0.48) GABRA5GABRG2GABRB3
SCHEMBL289018 0.81 GABRA5 (0.44) GABRA5GABRG2GABRB3
SCHEMBL287886 0.80 GABRA5 (0.47) GABRA5
SCHEMBL288078 0.80 GABRA5 (0.54) GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427456-A1 ISOXAZOLE-PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-03-14 EP 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
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
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 1/4885GABRG2 21/4885GABRB3 12/4885

“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.