SCHEMBL1390451

SCHEMBL1390451

Cc1ccccc1C(CC(=NO)c1ccc(=O)n(C)c1)c1ccc(C(=O)N(C)CCO)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 6/20 0.48
BRD4 O60885 7/20 0.37
PIK3CA P42336 2/20 0.34
PIK3CB P42338 2/20 0.34
USP1 O94782 2/20 0.33
HDAC6 Q9UBN7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CG P48736 1/20 0.32

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
SCHEMBL1390239 1.00 GPBAR1 (0.48) GPBAR1BRD4PIK3CAPIK3CBUSP1
SCHEMBL1389894 0.90 GPBAR1 (0.49) GPBAR1BRD4
SCHEMBL1389891 0.90 GPBAR1 (0.49) GPBAR1BRD4
SCHEMBL1390307 0.89 BRD4 (0.39) GPBAR1BRD4PIK3CAPIK3CBUSP1
SCHEMBL1390241 0.88 BRD4 (0.36) GPBAR1BRD4HDAC6L3MBTL1
SCHEMBL1389600 0.86 GPBAR1 (0.59) GPBAR1BRD4L3MBTL1
SCHEMBL1389603 0.86 GPBAR1 (0.59) GPBAR1BRD4L3MBTL1
SCHEMBL1389601 0.86 GPBAR1 (0.59) GPBAR1BRD4L3MBTL1
SCHEMBL1389808 0.83 GPBAR1 (0.64) GPBAR1BRD4
SCHEMBL371106 0.83 GPBAR1 (0.64) GPBAR1BRD4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP claimed
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 GPBAR1 1/4885BRD4 3540/4885PIK3CA 3822/4885

“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.