SCHEMBL2471444

SCHEMBL2471444

Cc1onc(-c2ccccc2)c1-c1cn(-c2ccccc2Cl)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.50
PTGS2 P35354 5/20 0.50
CNR1 P21554 1/20 0.43
MAPT P10636 5/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
PHF8 Q9UPP1 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK14 Q16539 1/20 0.42
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MT-CO2 P00403 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
LMNA P02545 1/20 0.40
CA3 P07451 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40

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
SCHEMBL2469101 0.90 PTGS1 (0.51) PTGS1PTGS2CNR1MAPTKDM4E
SCHEMBL2473755 0.86 PTGS2 (0.50) PTGS1PTGS2MAPTTDP1L3MBTL1
SCHEMBL2471396 0.84 PTGS1 (0.48) PTGS1PTGS2MAPTKDM4EGAA
SCHEMBL2470757 0.84 PTGS2 (0.56) PTGS1PTGS2MAPTTDP1L3MBTL1
SCHEMBL2472233 0.83 PTGS2 (0.47) PTGS1PTGS2MAPTGAATDP1
SCHEMBL2474629 0.83 L3MBTL1 (0.51) PTGS1PTGS2MAPTTDP1L3MBTL1
SCHEMBL2472880 0.82 PTGS1 (0.46) PTGS1PTGS2MAPTKDM4EGAA
SCHEMBL2472128 0.81 PTGS2 (0.54) PTGS1PTGS2MAPTGAATDP1
SCHEMBL2468931 0.81 PTGS1 (0.58) PTGS1PTGS2MAPTKDM4EPHF8
SCHEMBL2471991 0.81 PTGS1 (0.46) PTGS1PTGS2CNR1MAPTKDM4E

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 13 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 claimed
CN-101351461-A Aryl-iso  oxazol-4-yl-imidazole derivatives HOFFMANN LA ROCHE (CH) 2009-01-21 CN claimed
EP-1968973-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-09-17 EP claimed
US-7414061-B2 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 US claimed
US-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. 2007-07-12 US claimed
WO-2007074078-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-07-05 WO claimed
EP-1968973-B1 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-10-05 EP disclosed
CN-101351461-B Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN LA ROCHE 2011-09-07 CN disclosed
CN-101351461-A Aryl-iso  oxazol-4-yl-imidazole derivatives HOFFMANN LA ROCHE (CH) 2009-01-21 CN 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 PTGS1 2693/4885PTGS2 3762/4885CNR1 178/4885

“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.