SCHEMBL1390449

SCHEMBL1390449

CCOC(=O)C1[C@H]2CN(c3ccc(C(CC(=NO)c4ccnc(C)c4)c4ccc(F)cc4F)cc3)C[C@@H]12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.64
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 3/20 0.33
ACACB O00763 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
NTRK1 P04629 1/20 0.32
CNR2 P34972 1/20 0.32
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 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
SCHEMBL1390448 1.00 GPBAR1 (0.64) GPBAR1ALDH1A1TDP1MAPTACACB
SCHEMBL1390002 0.92 GPBAR1 (0.76) GPBAR1ACACBKEAP1NFE2L2KDM5A
SCHEMBL1390005 0.92 GPBAR1 (0.76) GPBAR1ACACBKEAP1NFE2L2KDM5A
SCHEMBL1390006 0.92 GPBAR1 (0.76) GPBAR1ACACBKEAP1NFE2L2KDM5A
SCHEMBL1390399 0.92 GPBAR1 (0.76) GPBAR1ACACBKEAP1NFE2L2KDM5A
SCHEMBL1390400 0.92 GPBAR1 (0.76) GPBAR1ACACBKEAP1NFE2L2KDM5A
SCHEMBL15949721 0.91 GPBAR1 (0.51) GPBAR1ALDH1A1TDP1MAPTACACB
SCHEMBL1390621 0.91 GPBAR1 (0.51) GPBAR1ALDH1A1TDP1MAPTACACB
SCHEMBL1390414 0.90 GPBAR1 (0.65) GPBAR1ALDH1A1TDP1MAPTKDM4E
SCHEMBL364437 0.90 GPBAR1 (0.65) GPBAR1ALDH1A1TDP1MAPTKDM4E

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-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 1/4885ALDH1A1 132/4885TDP1 2650/4885

“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.