SCHEMBL1855256

SCHEMBL1855256

CCCCCCCCCCCCNC(=O)c1cccc(CN(Cc2cccnc2)C(=O)C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.51
PTAFR P25105 10/20 0.50
TRPV1 Q8NER1 1/20 0.49
NAAA Q02083 2/20 0.49
KMT2A Q03164 2/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
FAAH O00519 1/20 0.46

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
SCHEMBL1853667 0.90 TRPV1 (0.59) EPHX2PTAFRTRPV1NAAAHDAC6
SCHEMBL1856397 0.90 NAAA (0.55) EPHX2NAAAHDAC8SMN1; SMN2
SCHEMBL1855162 0.89 NAAA (0.60) NAAAHDAC8SMN1; SMN2
SCHEMBL5044747 0.88 HDAC2 (0.52) EPHX2PTAFRTRPV1NAAAKMT2A
SCHEMBL1857222 0.88 NAAA (0.55) NAAAHDAC8SMN1; SMN2
SCHEMBL1855455 0.86 NAAA (0.53) NAAAHDAC8SMN1; SMN2
SCHEMBL1850770 0.85 NAAA (0.52) NAAAHDAC2HDAC6SMN1; SMN2
SCHEMBL1858834 0.85 NAAA (0.52) NAAAHDAC2HDAC8SMN1; SMN2
SCHEMBL1854390 0.85 NAAA (0.50) NAAAKMT2AHDAC8SMN1; SMN2MEN1
SCHEMBL1855567 0.84 NAAA (0.46) NAAAHDAC8SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP claimed
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed
US-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-09 US 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-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-09 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders TNNI3, TNNT2, ADM2 EPHX2 495/4885PTAFR 225/4885TRPV1 2693/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 EPHX2 2771/4885PTAFR 525/4885TRPV1 1229/4885

“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.