SCHEMBL288944

SCHEMBL288944

CCOC(=O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2C=O)cn1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 15/20 0.45
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GABRG2 P18507 3/20 0.41
GABRB3 P28472 3/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL287965 0.87 GABRA5 (0.44) GABRA5ALDH1A1KDM4ENPC1MAPT
SCHEMBL287964 0.87 GABRA5 (0.44) GABRA5ALDH1A1KDM4ENPC1MAPT
SCHEMBL288221 0.85 GABRA5 (0.46) GABRA5ALDH1A1KDM4ENPC1MAPT
SCHEMBL287853 0.78 GABRA5 (0.62) GABRA5ALDH1A1
SCHEMBL535733 0.74 GABRA5 (0.77) GABRA5
SCHEMBL287851 0.73 GABRA5 (0.48) GABRA5GABRG2GABRB3
SCHEMBL2672394 0.73 GABRA5 (0.56) GABRA5PTGS2
SCHEMBL1776149 0.72 GABRA5 (0.63) GABRA5
SCHEMBL289169 0.71 GABRA5 (0.49) GABRA5NPC1RAB9A
SCHEMBL286237 0.70 GABRA5 (0.53) GABRA5GABRG2GABRB3

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-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 1/4885ALDH1A1 707/4885KDM4E 1046/4885

“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.