SCHEMBL1856397

SCHEMBL1856397

CCCCCCCCCCCCNC(=O)c1cccc(CN(Cc2ccncc2)C(=O)C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.49
SIGMAR1 Q99720 5/20 0.47
TMEM97 Q5BJF2 4/20 0.47
CYP2C9 P11712 2/20 0.43
ROCK2 O75116 1/20 0.43
CYP3A4 P08684 1/20 0.43
ROCK1 Q13464 1/20 0.43
CNR2 P34972 1/20 0.43
NAMPT P43490 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM5A P29375 1/20 0.42
LMNA P02545 1/20 0.42
EPHX2 P34913 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 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
SCHEMBL1855162 0.93 NAAA (0.60) NAAASMN1; SMN2SIGMAR1TMEM97LMNA
SCHEMBL1855256 0.90 EPHX2 (0.51) NAAASMN1; SMN2EPHX2HDAC8
SCHEMBL1857222 0.89 NAAA (0.55) NAAASMN1; SMN2SIGMAR1TMEM97KDM5A
SCHEMBL1858834 0.89 NAAA (0.52) NAAASMN1; SMN2SIGMAR1TMEM97CNR2
SCHEMBL1850770 0.89 NAAA (0.52) NAAASMN1; SMN2SIGMAR1TMEM97KDM5A
SCHEMBL1851280 0.88 NAAA (0.64) NAAASMN1; SMN2SIGMAR1TMEM97CYP2C9
SCHEMBL1855455 0.88 NAAA (0.53) NAAASMN1; SMN2SIGMAR1TMEM97NAMPT
SCHEMBL5041082 0.87 NAAA (0.60) NAAASMN1; SMN2SIGMAR1TMEM97CYP2C9
SCHEMBL1858157 0.87 TMEM97 (0.53) NAAASMN1; SMN2SIGMAR1TMEM97NAMPT
SCHEMBL1857104 0.87 ALDH1A1 (0.53) NAAASMN1; SMN2SIGMAR1TMEM97LMNA

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-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
EP-1732534-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS Applied Research Systems ARS Holding N.V. (AN) 2006-12-20 EP disclosed
WO-2005082347-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS APLLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-09-09 WO 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 NAAA 684/4885SMN1; SMN2 2542/4885SIGMAR1 2165/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 NAAA 1643/4885SMN1; SMN2 4878/4885SIGMAR1 4339/4885

“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.