SCHEMBL6544730

SCHEMBL6544730

O=C(Nc1cc[c]cc1)c1ccc(F)cc1F

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 3/20 0.62
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
MAPT P10636 1/20 0.57
AVPR2 P30518 1/20 0.54
GPR27 Q9NS67 1/20 0.54
ALDH1A1 P00352 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPK1 P28482 1/20 0.53
LMNA P02545 2/20 0.53
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.47
HDAC1 Q13547 1/20 0.47

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
SCHEMBL6544935 0.83 GPR27 (0.72) SNCANPC1RAB9AMAPTAVPR2
SCHEMBL692946 0.81 PPARG (0.49) RAB9AMAPTALDH1A1MAPK1LMNA
SCHEMBL677811 0.81 SNCA (0.67) SNCANPC1RAB9AMAPTAVPR2
SCHEMBL8122863 0.81 HTT (0.67) SNCANPC1RAB9AMAPTAVPR2
SCHEMBL27964618 0.81 SNCA (0.67) SNCANPC1RAB9AMAPTAVPR2
SCHEMBL20529638 0.80 MEN1 (0.64) SNCANPC1RAB9AMAPTAVPR2
SCHEMBL7829594 0.77 SMN1; SMN2 (0.48) SNCANPC1RAB9AMAPTALDH1A1
SCHEMBL28146165 0.77 KMT2A (0.48) SNCANPC1RAB9AMAPTLMNA
SCHEMBL7079567 0.77 SNCA (0.58) SNCANPC1RAB9AMAPTAVPR2
SCHEMBL2104851 0.76 PTPN1 (0.68) SNCANPC1RAB9ATDP1KDM4E

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
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
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
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 SNCA 3586/4885NPC1 2197/4885RAB9A 4120/4885

“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.