SCHEMBL1851652

SCHEMBL1851652

CCCCCCCCCCCCNC(=O)c1ccc(CN(Cc2ccc(N(C)C)cc2)C(=O)C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.57
HDAC10 Q969S8 8/20 0.57
HDAC6 Q9UBN7 8/20 0.57
HDAC8 Q9BY41 8/20 0.57
HDAC2 Q92769 7/20 0.57
HDAC11 Q96DB2 5/20 0.57
HDAC3 O15379 5/20 0.57
HDAC4 P56524 4/20 0.57
HDAC7 Q8WUI4 4/20 0.57
HDAC9 Q9UKV0 4/20 0.57
HDAC5 Q9UQL6 4/20 0.57
LTA4H P09960 1/20 0.54
TMEM97 Q5BJF2 2/20 0.54
SIGMAR1 Q99720 2/20 0.54
NAAA Q02083 2/20 0.53
CNR2 P34972 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
KMT2A Q03164 1/20 0.49

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
SCHEMBL1855930 0.91 NAAA (0.53) HDAC1HDAC10HDAC6HDAC8HDAC2
SCHEMBL1851125 0.90 NAAA (0.64) HDAC1HDAC6HDAC2HDAC3TMEM97
SCHEMBL1857574 0.90 NAAA (0.57) HDAC3TMEM97SIGMAR1NAAAL3MBTL1
SCHEMBL1853512 0.90 NAAA (0.64) HDAC1HDAC6HDAC2HDAC3TMEM97
SCHEMBL1859658 0.90 NAAA (0.64) HDAC1HDAC6HDAC2HDAC3TMEM97
SCHEMBL1856912 0.90 TMEM97 (0.60) TMEM97SIGMAR1NAAAL3MBTL1THRA
SCHEMBL1852914 0.88 NAAA (0.56) HDAC1HDAC10HDAC6HDAC8HDAC2
SCHEMBL1851280 0.86 NAAA (0.64) HDAC3TMEM97SIGMAR1NAAAL3MBTL1
SCHEMBL1853750 0.85 NPC1 (0.62) HDAC1HDAC6HDAC2HDAC3TMEM97
SCHEMBL1852987 0.85 TMEM97 (0.56) HDAC3TMEM97SIGMAR1NAAAL3MBTL1

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-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-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-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 HDAC1 431/4885HDAC10 389/4885HDAC6 486/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 HDAC1 2136/4885HDAC10 2170/4885HDAC6 2591/4885

“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.