SCHEMBL1389614

SCHEMBL1389614

Cc1ccccc1C(C/C(=N/O)c1ccncc1)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 5/20 0.50
CTSA P10619 1/20 0.44
MAPT P10636 6/20 0.40
PLOD2 O00469 1/20 0.40
PLOD3 O60568 1/20 0.40
PLOD1 Q02809 1/20 0.40
KDM4E B2RXH2 3/20 0.39
GAA P10253 3/20 0.39
ALDH1A1 P00352 3/20 0.38
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP17A1 P05093 1/20 0.36
RORC P51449 2/20 0.36
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
AHR P35869 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
SCHEMBL363913 1.00 GPBAR1 (0.50) GPBAR1CTSAMAPTPLOD2PLOD3
SCHEMBL10240899 1.00 GPBAR1 (0.50) GPBAR1CTSAMAPTPLOD2PLOD3
SCHEMBL369834 0.91 GPBAR1 (0.51) GPBAR1CTSAMAPTKDM4EGAA
SCHEMBL369835 0.91 GPBAR1 (0.51) GPBAR1CTSAMAPTKDM4EGAA
SCHEMBL10240898 0.91 GPBAR1 (0.51) GPBAR1CTSAMAPTKDM4EGAA
SCHEMBL1389750 0.89 GPBAR1 (0.65) GPBAR1CTSAMAPTKDM4EGAA
SCHEMBL364478 0.89 GPBAR1 (0.65) GPBAR1CTSAMAPTKDM4EGAA
SCHEMBL1389748 0.89 GPBAR1 (0.65) GPBAR1CTSAMAPTKDM4EGAA
SCHEMBL1389745 0.89 GPBAR1 (0.65) GPBAR1CTSAMAPTKDM4EGAA
SCHEMBL1390247 0.89 GPBAR1 (0.65) GPBAR1CTSAMAPTKDM4EGAA

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 3 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-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 1/4885CTSA 3225/4885MAPT 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.