SCHEMBL1389885

SCHEMBL1389885

O=C(O)c1cccc(-c2ccc(C(CC(=NO)c3ccncc3)c3ccccc3)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.58
KMO O15229 2/20 0.47
CYP17A1 P05093 1/20 0.42
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
FFAR1 O14842 1/20 0.40
SUCNR1 Q9BXA5 2/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
CTSA P10619 1/20 0.39
LMNA P02545 1/20 0.39
LDHA P00338 1/20 0.39
LDHB P07195 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL362229 1.00 GPBAR1 (0.58) GPBAR1KMOCYP17A1RXRARXRB
SCHEMBL1389878 0.89 GPBAR1 (0.64) GPBAR1RXRARXRBRXRG
SCHEMBL362608 0.89 GPBAR1 (0.60) GPBAR1GAAKDM4EHTTLMNA
SCHEMBL363119 0.89 GPBAR1 (0.64) GPBAR1RXRARXRBRXRG
SCHEMBL365027 0.89 GPBAR1 (0.60) GPBAR1GAAKDM4EHTTLMNA
SCHEMBL1390313 0.88 GPBAR1 (0.55) GPBAR1CYP17A1
SCHEMBL363331 0.88 GPBAR1 (0.55) GPBAR1CYP17A1
SCHEMBL15949238 0.85 GPBAR1 (0.54) GPBAR1CYP17A1RXRARXRBFFAR1
SCHEMBL362212 0.83 GPBAR1 (0.56) GPBAR1CYP17A1FFAR1GAA
SCHEMBL368645 0.83 GPBAR1 (0.56) GPBAR1CYP17A1FFAR1GAA

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 1/4885KMO 2677/4885CYP17A1 1253/4885

“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.