SCHEMBL2475615

SCHEMBL2475615

COC(=O)c1nc(-c2c(-c3ccccc3)noc2C)c[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.51
PTGS2 P35354 3/20 0.49
PTGS1 P23219 2/20 0.49
MT-CO2 P00403 2/20 0.46
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPK8 P45983 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GABRA5 P31644 2/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
CRHBP P24387 1/20 0.43

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
SCHEMBL2317784 0.84 ESR1 (0.48) PTGS2PTGS1ALDH1A1GABRA5SMN1; SMN2
SCHEMBL4972421 0.83 MAPK14 (0.46) MAPK14PTGS2PTGS1KMT2AALDH1A1
SCHEMBL4970574 0.83 MAPK14 (0.48) MAPK14PTGS2PTGS1MT-CO2MAPT
SCHEMBL259469 0.79 GAA (0.51) KMT2AALDH1A1GABRA5GAAKDM4E
SCHEMBL2471440 0.79 PTGS2 (0.61) MAPK14PTGS2PTGS1MT-CO2MAPT
SCHEMBL2472200 0.77 PTGS2 (0.59) MAPK14PTGS2PTGS1MT-CO2MAPT
SCHEMBL4973172 0.76 PTGS2 (0.48) MAPK14PTGS2PTGS1MT-CO2MAPT
SCHEMBL4972650 0.75 KDM4E (0.47) MAPK14PTGS2PTGS1MT-CO2MAPT
SCHEMBL14564384 0.75 NR4A2 (0.49) MAPTALDH1A1GABRA5GAASMN1; SMN2
SCHEMBL2470928 0.74 MAPK14 (0.48) MAPK14PTGS2PTGS1MT-CO2MAPT

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-1968973-B1 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-10-05 EP disclosed
EP-1968973-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-09-17 EP disclosed
US-7414061-B2 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 US disclosed
US-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. 2007-07-12 US disclosed
WO-2007074078-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-07-05 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-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives GABRA5, GABRA4, GABRA1 MAPK14 4327/4885PTGS2 3762/4885PTGS1 2693/4885

“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.