SCHEMBL2471876

SCHEMBL2471876

CC(=O)c1c(-c2cccc(F)c2)noc1C

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 5/20 0.62
GAA P10253 2/20 0.53
TSHR P16473 2/20 0.53
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 2/20 0.49
ALOX12 P18054 1/20 0.49
GABRA5 P31644 4/20 0.47
HTT P42858 1/20 0.47
BRD4 O60885 1/20 0.45
BRD2 P25440 1/20 0.45
CREBBP Q92793 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL27918170 0.90 GPBAR1 (0.63) GPBAR1GAATSHRKMT2AMEN1
SCHEMBL4594713 0.89 GPBAR1 (0.62) GPBAR1GAATSHRKMT2AMEN1
SCHEMBL13734171 0.85 GPBAR1 (0.58) GPBAR1GAATSHRKMT2AMEN1
SCHEMBL2472816 0.84 GPBAR1 (0.57) GPBAR1GAATSHRKMT2AMEN1
SCHEMBL2473629 0.83 KMT2A (0.51) GPBAR1GAATSHRKMT2AMEN1
SCHEMBL1776068 0.83 GPBAR1 (0.59) GPBAR1GAATSHRALDH1A1GABRA5
SCHEMBL2320097 0.82 GPBAR1 (0.47) GPBAR1GAATSHRKMT2AMEN1
SCHEMBL2475844 0.82 GPBAR1 (0.59) GPBAR1GAATSHRKMT2AMEN1
SCHEMBL1574735 0.82 KMT2A (0.73) GPBAR1GAATSHRKMT2AMEN1
SCHEMBL2471731 0.81 KMT2A (0.51) GPBAR1GAATSHRKMT2AMEN1

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 GPBAR1 184/4885GAA 736/4885TSHR 410/4885

“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.