SCHEMBL368597

SCHEMBL368597

Cc1[nH]c2ccccc2c1C(CC(=NO)c1ccncc1)c1ccc(N(C)C)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.68
VDR P11473 3/20 0.49
MAPT P10636 9/20 0.40
LMNA P02545 1/20 0.38
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
USP2 O75604 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC6A3 Q01959 2/20 0.37
PSMD14 O00487 1/20 0.37
MAPK1 P28482 1/20 0.37
IMPDH2 P12268 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
SCHEMBL10280773 1.00 GPBAR1 (0.68) GPBAR1VDRMAPTLMNAALDH1A1
SCHEMBL368596 1.00 GPBAR1 (0.68) GPBAR1VDRMAPTLMNAALDH1A1
SCHEMBL369768 0.86 VDR (0.51) GPBAR1VDRMAPTLMNAALDH1A1
SCHEMBL364632 0.82 GPBAR1 (1.00) GPBAR1MAPTLMNAALDH1A1KDM4E
SCHEMBL10240827 0.82 GPBAR1 (1.00) GPBAR1MAPTLMNAALDH1A1KDM4E
SCHEMBL10240825 0.82 GPBAR1 (1.00) GPBAR1MAPTLMNAALDH1A1KDM4E
SCHEMBL364631 0.82 GPBAR1 (1.00) GPBAR1MAPTLMNAALDH1A1KDM4E
SCHEMBL364630 0.82 GPBAR1 (1.00) GPBAR1MAPTLMNAALDH1A1KDM4E
SCHEMBL10280819 0.81 GPBAR1 (0.69) GPBAR1MAPTLMNAALDH1A1GAA
SCHEMBL368407 0.81 GPBAR1 (0.69) GPBAR1MAPTLMNAALDH1A1GAA

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 1/4885VDR 730/4885MAPT 4149/4885

“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.