SCHEMBL1856841

SCHEMBL1856841

CCCCCCCCCCCCNC(=O)c1ccc(CN(Cc2ccc(I)cc2)C(=O)C(=O)O)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.48
NAAA Q02083 2/20 0.42
TMEM97 Q5BJF2 3/20 0.42
SIGMAR1 Q99720 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MLYCD O95822 1/20 0.41
HPGD P15428 1/20 0.41
CA2 P00918 1/20 0.40
NCEH1 Q6PIU2 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL1857834 0.89 TRPV1 (0.44) TMEM97SIGMAR1L3MBTL1HPGDHDAC1
SCHEMBL1859353 0.88 MLYCD (0.48) NAAATMEM97SIGMAR1L3MBTL1MLYCD
SCHEMBL1854634 0.87 STAT3 (0.44) NAAATMEM97SIGMAR1HPGDCA2
SCHEMBL1856836 0.87 NAAA (0.47) FOLH1NAAATMEM97SIGMAR1L3MBTL1
SCHEMBL5045568 0.86 FOLH1 (0.46) FOLH1NAAATMEM97SIGMAR1L3MBTL1
SCHEMBL1851709 0.86 GCGR (0.48) MLYCDHPGDNCEH1HDAC1
SCHEMBL6022514 0.83 HDAC1 (0.34) FOLH1THRATHRBHDAC1HDAC6
SCHEMBL1854208 0.82 MLYCD (0.41) NAAATMEM97SIGMAR1MLYCDHDAC6
SCHEMBL1855242 0.82 ALDH1A1 (0.46) NAAATMEM97SIGMAR1MLYCDSMN1; SMN2
SCHEMBL1851961 0.82 MEN1 (0.46) HDAC1HDAC6

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-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
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP 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 FOLH1 1498/4885NAAA 684/4885TMEM97 2395/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 FOLH1 1825/4885NAAA 1643/4885TMEM97 3884/4885

“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.