SCHEMBL1389691

SCHEMBL1389691

COC(=O)CNC(=O)c1ccc(-c2ccc(C(CC(=NO)c3ccc(=O)n(C)c3)c3ccc(Cl)cc3C)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.39
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
GCG P01275 2/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PPARG P37231 1/20 0.33
MAPK1 P28482 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
SCHEMBL1389689 1.00 GPBAR1 (0.39) GPBAR1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL1389593 0.93 GPBAR1 (0.41) GPBAR1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL1389596 0.93 GPBAR1 (0.41) GPBAR1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL1389730 0.93 GPBAR1 (0.41) GPBAR1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL1390040 0.91 GPBAR1 (0.39) GPBAR1KMT2AADORA2AADORA2BMAPK1
SCHEMBL1390044 0.91 GPBAR1 (0.39) GPBAR1KMT2AADORA2AADORA2BMAPK1
SCHEMBL10291200 0.89 MEN1 (0.36) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL369931 0.87 GPBAR1 (0.51) GPBAR1POLBPPARG
SCHEMBL10241335 0.87 GPBAR1 (0.51) GPBAR1POLBPPARG
SCHEMBL10241339 0.87 GPBAR1 (0.51) GPBAR1POLBPPARG

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 1/4885MEN1 1315/4885KMT2A 3981/4885

“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.