SCHEMBL2469006

SCHEMBL2469006

COc1ccc(-n2cnc(-c3c(-c4ccccc4)noc3C)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.53
PTGS1 P23219 2/20 0.48
BRD4 O60885 1/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.46
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
NLRP3 Q96P20 1/20 0.43
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL2470757 0.89 PTGS2 (0.56) PTGS2PTGS1BRD4LMNAHTT
SCHEMBL2473691 0.89 L3MBTL1 (0.48) PTGS2PTGS1BRD4LMNAHTT
SCHEMBL2474328 0.88 PTGS2 (0.45) PTGS2BRD4LMNAHTTNPC1
SCHEMBL2477859 0.88 HTT (0.55) PTGS2PTGS1BRD4LMNAHTT
SCHEMBL2471844 0.86 NPC1 (0.61) PTGS2PTGS1BRD4LMNAHTT
SCHEMBL2472121 0.86 PTGS2 (0.50) PTGS2PTGS1LMNAHTTMAPT
SCHEMBL2473590 0.85 MAPT (0.43) PTGS2PTGS1BRD4LMNATP53
SCHEMBL2318759 0.85 ESR1 (0.45) PTGS2PTGS1LMNATP53MAPT
SCHEMBL2472011 0.84 PTGS2 (0.48) PTGS2PTGS1BRD4LMNAHTT
SCHEMBL2469165 0.84 PTGS2 (0.45) PTGS2PTGS1BRD4LMNAMAPT

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 10 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
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
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 PTGS2 3762/4885PTGS1 2693/4885BRD4 677/4885

“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.