SCHEMBL6359328

SCHEMBL6359328

CCCCNC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.58
EPHX2 P34913 1/20 0.58
NAAA Q02083 2/20 0.58
TMEM97 Q5BJF2 1/20 0.58
SIGMAR1 Q99720 1/20 0.58
ALDH1A1 P00352 3/20 0.57
HTT P42858 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.57
MAPT P10636 1/20 0.56
MCHR1 Q99705 1/20 0.56
NAMPT P43490 1/20 0.54
MRGPRX4 Q96LA9 1/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL13577932 0.95 MLYCD (0.73) MLYCDL3MBTL1SMN1; SMN2EPHX2NAAA
SCHEMBL28929298 0.94 MLYCD (0.76) MLYCDL3MBTL1SMN1; SMN2EPHX2NAAA
SCHEMBL6358316 0.90 ALDH1A1 (0.69) MLYCDEPHX2TMEM97SIGMAR1ALDH1A1
SCHEMBL28326194 0.88 L3MBTL1 (0.73) MLYCDL3MBTL1SMN1; SMN2NAAAALDH1A1
SCHEMBL13577906 0.85 MLYCD (0.73) MLYCDL3MBTL1SMN1; SMN2NAAAALDH1A1
SCHEMBL20892692 0.85 RHOC (0.60) MLYCDSMN1; SMN2NAAAALDH1A1HTT
SCHEMBL1853826 0.85 MLYCD (0.64) MLYCDL3MBTL1SMN1; SMN2EPHX2NAAA
SCHEMBL3580293 0.85 SMN1; SMN2 (0.74) MLYCDL3MBTL1SMN1; SMN2NAAATMEM97
SCHEMBL7975942 0.85 EPHX2 (0.59) MLYCDEPHX2TMEM97SIGMAR1ALDH1A1
SCHEMBL19291293 0.84 LDLR (0.53) MLYCDL3MBTL1SMN1; SMN2EPHX2ALDH1A1

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 11 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
US-8168654-B2 Quinuclidine derivatives binding to mucarinic M3 receptors NOVARTIS AG (CH) 2012-05-01 US disclosed
US-8168654-B2 Quinuclidine derivatives binding to mucarinic M3 receptors NOVARTIS AG (CH) 2012-05-01 US disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 US disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 US disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 US disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 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 (3 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-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors CHRM3, CHRM2, CHRM1 MLYCD 3946/4885L3MBTL1 3806/4885SMN1; SMN2 3865/4885
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 MLYCD 793/4885L3MBTL1 3954/4885SMN1; SMN2 2291/4885
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS CHRM3, CHRM2, CHRM1 MLYCD 3946/4885L3MBTL1 3806/4885SMN1; SMN2 3865/4885

“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.