SCHEMBL6544935

SCHEMBL6544935

O=C(Nc1ccccc1)c1ccc(F)cc1F

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR27 Q9NS67 4/20 0.72
AVPR2 P30518 1/20 0.72
SNCA P37840 1/20 0.66
LMNA P02545 1/20 0.65
NPC1 O15118 7/20 0.61
RAB9A P51151 7/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
TDP1 Q9NUW8 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.59
MAPT P10636 1/20 0.59
HTT P42858 1/20 0.59
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 2/20 0.56
MAPK1 P28482 1/20 0.56
KLK7 P49862 1/20 0.55
HPGD P15428 1/20 0.54

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
SCHEMBL3477805 0.85 ALDH1A1 (0.66) GPR27AVPR2LMNANPC1RAB9A
SCHEMBL7179650 0.85 MEN1 (0.64) GPR27AVPR2SNCALMNANPC1
SCHEMBL11582123 0.85 ALDH1A1 (0.66) GPR27AVPR2LMNANPC1RAB9A
Hydrochloric Acid SCHEMBL2105443 0.84 MEN1 (0.58) GPR27AVPR2SNCANPC1RAB9A
SCHEMBL27964618 0.83 SNCA (0.67) GPR27AVPR2SNCALMNANPC1
SCHEMBL677811 0.83 SNCA (0.67) GPR27AVPR2SNCALMNANPC1
SCHEMBL6544730 0.83 SNCA (0.62) GPR27AVPR2SNCALMNANPC1
SCHEMBL8122863 0.83 HTT (0.67) GPR27AVPR2SNCALMNANPC1
SCHEMBL10430505 0.83 FADS1 (0.56) GPR27AVPR2LMNANPC1RAB9A
SCHEMBL1197766 0.83 ALDH1A1 (0.57) GPR27AVPR2SNCAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014121036-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 WO disclosed
US-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 US disclosed
EP-1022272-B1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS SANKYO CO (JP) 2004-05-26 EP disclosed
US-6432993-B1 BENZIMIDAZOLE OR IMIDAZO(4,5-B)PYRIDINE DERIVATES; IMMUNOMODULATORS; ALDOSE REDUCTASE AND LIPOXYGENASE INHIBITORS; DIABETES; PREVENTS LIPID PEROXIDATION; ANTILIPEMIC, HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 2002-08-13 US disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 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-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SRD5A2, PPARD, SRD5A1 GPR27 921/4885AVPR2 443/4885SNCA 3586/4885

“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.