SCHEMBL2789381

SCHEMBL2789381

Oc1ccc(Sc2ccc(F)cc2)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.46
EP300 Q09472 2/20 0.42
KAT2B Q92831 2/20 0.42
KAT8 Q9H7Z6 2/20 0.42
HDAC3 O15379 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GLA P06280 1/20 0.38
HTR1A P08908 1/20 0.38
HTR3A P46098 1/20 0.38
RHEB Q15382 2/20 0.38
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
THRB P10828 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
P4HB P07237 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL4595003 0.85 IDO1 (0.50) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL7196033 0.85 IDO1 (0.54) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL9400360 0.82 IDO1 (0.46) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL11261233 0.80 IDO1 (0.65) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL28647118 0.77 ALDH1A1 (0.45) L3MBTL1ALDH1A1GLAHTR1AHTR3A
SCHEMBL28850516 0.74 DHFR (0.46) L3MBTL1ALDH1A1GLAHTR1AHTR3A
SCHEMBL30548760 0.74 HTR1A (0.51) IDO1L3MBTL1ALDH1A1GLAHTR1A
SCHEMBL27999821 0.73 ALDH1A1 (0.38) L3MBTL1ALDH1A1GLAHTR1AHTR3A
SCHEMBL22566385 0.72 IDO1 (0.59) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL28693353 0.72 USP2 (0.58) L3MBTL1ALDH1A1MAPTMAPK1THRB

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
US-20100041657-A1 HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDICK A/S (DK) 2010-02-18 US disclosed
EP-1881961-A1 NEW HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDISK A/S (DK) 2008-01-30 EP disclosed
WO-2006120178-A1 NEW HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDISK A/S (DK) 2006-11-16 WO 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-20100041657-A1 HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES RPS12, GPR119, ATP12A IDO1 2342/4885EP300 2500/4885KAT2B 1791/4885

“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.