SCHEMBL2471731

SCHEMBL2471731

CC(=O)c1c(-c2ccc(F)c(F)c2)noc1C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HSD17B10 Q99714 1/20 0.51
GPBAR1 Q8TDU6 6/20 0.46
GAA P10253 2/20 0.46
GABRA5 P31644 4/20 0.44
TSHR P16473 1/20 0.43
BACE1 P56817 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ALOX12 P18054 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
SCHEMBL3985525 0.88 KMT2A (0.54) KMT2AMEN1KDM4EHSD17B10GPBAR1
SCHEMBL2472321 0.83 KMT2A (0.47) KMT2AMEN1KDM4EHSD17B10GPBAR1
SCHEMBL2475844 0.83 GPBAR1 (0.59) KMT2AMEN1KDM4EGPBAR1GAA
SCHEMBL535772 0.82 NPC1 (0.53) KMT2AMEN1KDM4EHSD17B10GAA
SCHEMBL2471876 0.81 GPBAR1 (0.62) KMT2AMEN1KDM4EGPBAR1GAA
SCHEMBL1575050 0.80 GPBAR1 (0.66) KMT2AMEN1KDM4EGPBAR1GAA
SCHEMBL2470754 0.80 RAB9A (0.54) KMT2AMEN1KDM4EGPBAR1GAA
SCHEMBL3977672 0.77 SMN1; SMN2 (0.50) KMT2AMEN1KDM4EHSD17B10GAA
SCHEMBL1574735 0.76 KMT2A (0.73) KMT2AMEN1GPBAR1GAATSHR
SCHEMBL2473629 0.75 KMT2A (0.51) KMT2AMEN1KDM4EGPBAR1GAA

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 3 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
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

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 KMT2A 1742/4885MEN1 4548/4885KDM4E 830/4885

“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.