SCHEMBL10240825

SCHEMBL10240825

CN(C)c1ccc([C@H](C/C(=N\O)c2ccncc2)c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 1.00
ALDH1A1 P00352 6/20 0.43
GFER P55789 2/20 0.43
HPGD P15428 1/20 0.43
SLC6A3 Q01959 3/20 0.42
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 4/20 0.40
CHRM5 P08912 1/20 0.39
CHKA P35790 1/20 0.39
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EPHX2 P34913 1/20 0.37
MPO P05164 1/20 0.37
CCR5 P51681 1/20 0.36

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
SCHEMBL364630 1.00 GPBAR1 (1.00) GPBAR1ALDH1A1GFERHPGDSLC6A3
SCHEMBL364632 1.00 GPBAR1 (1.00) GPBAR1ALDH1A1GFERHPGDSLC6A3
SCHEMBL364631 1.00 GPBAR1 (1.00) GPBAR1ALDH1A1GFERHPGDSLC6A3
SCHEMBL10240827 1.00 GPBAR1 (1.00) GPBAR1ALDH1A1GFERHPGDSLC6A3
SCHEMBL364327 0.91 GPBAR1 (0.83) GPBAR1ALDH1A1GFERHPGDSLC6A3
SCHEMBL10240841 0.91 GPBAR1 (0.83) GPBAR1ALDH1A1GFERHPGDSLC6A3
SCHEMBL1389794 0.91 GPBAR1 (0.83) GPBAR1ALDH1A1GFERHPGDSLC6A3
SCHEMBL364053 0.91 GPBAR1 (0.83) GPBAR1ALDH1A1GFERHPGDSLC6A3
SCHEMBL10240848 0.91 GPBAR1 (0.83) GPBAR1ALDH1A1GFERHPGDSLC6A3
SCHEMBL364094 0.90 GPBAR1 (0.80) GPBAR1ALDH1A1GFERHPGDSLC6A3

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 6 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-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 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 132/4885GFER 1177/4885

“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.