SCHEMBL362174

SCHEMBL362174

Cc1cc(C)cc(C(CC(=NO)c2ccncc2)c2ccc(N(C)C)cc2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.78
MAPT P10636 8/20 0.35
ALDH1A1 P00352 6/20 0.35
GFER P55789 3/20 0.35
KDM4E B2RXH2 3/20 0.35
CHRM5 P08912 1/20 0.35
CHKA P35790 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MPO P05164 1/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
SLC6A3 Q01959 2/20 0.34
IDE P14735 1/20 0.33
RAB9A P51151 2/20 0.33
FFAR1 O14842 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL369517 1.00 GPBAR1 (0.78) GPBAR1MAPTALDH1A1GFERKDM4E
SCHEMBL10240865 1.00 GPBAR1 (0.78) GPBAR1MAPTALDH1A1GFERKDM4E
SCHEMBL10240848 0.91 GPBAR1 (0.83) GPBAR1MAPTALDH1A1GFERKDM4E
SCHEMBL364053 0.91 GPBAR1 (0.83) GPBAR1MAPTALDH1A1GFERKDM4E
SCHEMBL364327 0.91 GPBAR1 (0.83) GPBAR1MAPTALDH1A1GFERKDM4E
SCHEMBL10240841 0.91 GPBAR1 (0.83) GPBAR1MAPTALDH1A1GFERKDM4E
SCHEMBL1389794 0.91 GPBAR1 (0.83) GPBAR1MAPTALDH1A1GFERKDM4E
SCHEMBL364094 0.90 GPBAR1 (0.80) GPBAR1MAPTALDH1A1GFERKDM4E
SCHEMBL364095 0.90 GPBAR1 (0.80) GPBAR1MAPTALDH1A1GFERKDM4E
SCHEMBL10240836 0.90 GPBAR1 (0.80) GPBAR1MAPTALDH1A1GFERKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP claimed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO 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
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP 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

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 1/4885MAPT 4149/4885ALDH1A1 132/4885

“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.