SCHEMBL959757

SCHEMBL959757

FC(F)(F)c1cc(Cl)nc(Oc2ccc(Cl)cc2Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
HTT P42858 2/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
ATM Q13315 1/20 0.53
MAPT P10636 3/20 0.45
LMNA P02545 3/20 0.45
TTR P02766 3/20 0.41
NR1I2 O75469 1/20 0.41
PGR P06401 1/20 0.41
HSP90AA1 P07900 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
HSPA5 P11021 1/20 0.41
CBR1 P16152 1/20 0.41
TBXA2R P21731 1/20 0.41
SLC6A2 P23975 1/20 0.41
AGTR1 P30556 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PTGS1 P23219 1/20 0.41

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
SCHEMBL11386499 0.77 L3MBTL1 (0.75) HPGDL3MBTL1HTTALDH1A1GAA
SCHEMBL959490 0.74 MRGPRX4 (0.53) HPGDL3MBTL1HTTALDH1A1GAA
SCHEMBL9368354 0.74 MEN1 (0.64) HPGDL3MBTL1HTTALDH1A1GAA
SCHEMBL959742 0.73 HPGD (0.50) HPGDL3MBTL1HTTALDH1A1GAA
SCHEMBL958410 0.73 MAPT (0.47) HPGDL3MBTL1HTTALDH1A1GAA
SCHEMBL13997362 0.71 SCN8A (0.49) HPGDL3MBTL1HTTALDH1A1GAA
SCHEMBL10669869 0.71 FFAR1 (0.51) L3MBTL1TTRKMT2AMEN1
SCHEMBL1437397 0.71 TACR1 (0.38) ALDH1A1GAASMN1; SMN2
SCHEMBL3281699 0.70 L3MBTL1 (0.54) HPGDL3MBTL1HTTALDH1A1GAA
SCHEMBL17608808 0.70 SLC6A2 (0.49) SLC6A2SLC6A3KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
EP-2253618-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP 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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING GPR4, NR3C2, NR5A2 HPGD 3027/4885L3MBTL1 4361/4885HTT 2718/4885

“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.