SCHEMBL1389647

SCHEMBL1389647

Cc1ccccc1C(C/C(=N/O)c1ccc(=O)n(C)c1)c1ccc(C(=O)NCC(O)C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 5/20 0.45
SLC6A9 P48067 1/20 0.35
BRD4 O60885 1/20 0.35
GABRA5 P31644 1/20 0.34
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TACR1 P25103 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
EPHX2 P34913 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DGAT1 O75907 1/20 0.32
CREBBP Q92793 1/20 0.31

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
SCHEMBL1389649 1.00 GPBAR1 (0.45) GPBAR1SLC6A9BRD4GABRA5HTT
SCHEMBL1389645 1.00 GPBAR1 (0.45) GPBAR1SLC6A9BRD4GABRA5HTT
SCHEMBL15958989 0.92 GPBAR1 (0.45) GPBAR1SLC6A9BRD4HTTMEN1
SCHEMBL1389967 0.90 GPBAR1 (0.48) GPBAR1SLC6A9BRD4HTTMEN1
SCHEMBL1389843 0.90 GPBAR1 (0.48) GPBAR1SLC6A9BRD4HTTMEN1
SCHEMBL1389963 0.90 GPBAR1 (0.48) GPBAR1SLC6A9BRD4HTTMEN1
SCHEMBL1389840 0.90 GPBAR1 (0.48) GPBAR1SLC6A9BRD4HTTMEN1
SCHEMBL1389960 0.90 GPBAR1 (0.48) GPBAR1SLC6A9BRD4HTTMEN1
SCHEMBL368576 0.90 SLC6A9 (0.38) GPBAR1SLC6A9BRD4GABRA5HTT
SCHEMBL1389845 0.90 GPBAR1 (0.48) GPBAR1SLC6A9BRD4HTTMEN1

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 1/4885SLC6A9 1778/4885BRD4 3540/4885

“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.