SCHEMBL1853979

SCHEMBL1853979

CCCCCCCCOc1ccc(CNCc2ccccc2C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SCN8A Q9UQD0 1/20 0.49
S1PR2 O95136 2/20 0.48
S1PR1 P21453 2/20 0.48
S1PR3 Q99500 2/20 0.48
LPAR2 Q9HBW0 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAOB P27338 2/20 0.45
LTA4H P09960 1/20 0.43
FAAH O00519 1/20 0.43
MAPK1 P28482 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 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
SCHEMBL1857171 0.82 S1PR2 (0.54) SCN8AS1PR2S1PR1S1PR3LPAR2
SCHEMBL6023242 0.81 MAOB (0.46) MAOBLTA4HCYP1A2CYP3A4CYP2C9
SCHEMBL1851716 0.80 FFAR1 (0.44) KDM4EALDH1A1HTTTDP1SCN8A
SCHEMBL1853472 0.80 FFAR1 (0.44) KDM4EALDH1A1HTTTDP1SCN8A
SCHEMBL1852990 0.79 MAOB (0.43) MAOBLTA4HCYP1A2CYP3A4CYP2C9
SCHEMBL1854704 0.79 SLC2A1 (0.57) KDM4EALDH1A1HTTTDP1SCN8A
SCHEMBL5048886 0.79 S1PR1 (0.51) ALDH1A1SCN8AS1PR2S1PR1S1PR3
SCHEMBL1857139 0.78 MEN1 (0.44) KDM4EALDH1A1HTTTDP1S1PR1
SCHEMBL9080447 0.78 KDM4E (0.56) KDM4EALDH1A1HTTTDP1SCN8A
SCHEMBL25590510 0.77 SCN8A (0.59) SCN8ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed
EP-1732534-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS Applied Research Systems ARS Holding N.V. (AN) 2006-12-20 EP claimed
WO-2005082347-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS APLLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-09-09 WO claimed
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP claimed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO claimed
EP-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP disclosed
US-7592477-B2 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2009-09-22 US disclosed
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 US disclosed
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO 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-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 KDM4E 249/4885ALDH1A1 3733/4885HTT 2944/4885

“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.