SCHEMBL6544758

SCHEMBL6544758

CCCCCCNC(=O)c1ccc(F)cc1F

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.58
NAAA Q02083 4/20 0.56
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CNR1 P21554 2/20 0.52
CNR2 P34972 2/20 0.52
TSHR P16473 2/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
HPGD P15428 1/20 0.49
MLYCD O95822 1/20 0.49
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL21210764 0.94 HTT (0.58) HDAC3NAAALMNASMN1; SMN2TSHR
SCHEMBL13753140 0.88 L3MBTL1 (0.54) HDAC3ALDH1A1L3MBTL1HPGDNPC1
SCHEMBL9317521 0.85 ACKR3 (0.53) HDAC3NAAACNR1CNR2
SCHEMBL31320036 0.83 NAAA (0.51) HDAC3NAAAALDH1A1LMNASMN1; SMN2
SCHEMBL27379972 0.82 NAAA (0.50) NAAAALDH1A1LMNASMN1; SMN2CNR1
SCHEMBL28929321 0.82 NAAA (0.70) HDAC3NAAAALDH1A1LMNASMN1; SMN2
SCHEMBL6068233 0.81 CES2 (0.55) HDAC3LMNASMN1; SMN2L3MBTL1TP53
SCHEMBL12121122 0.81 HTT (0.57) HDAC3NAAAALDH1A1LMNASMN1; SMN2
SCHEMBL5636971 0.80 ALPL (0.55) HDAC3ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL12462063 0.80 HDAC3 (0.54) HDAC3LMNATSHRL3MBTL1GAA

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 HDAC3 266/4885NAAA 4148/4885ALDH1A1 963/4885

“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.