SCHEMBL1854548

SCHEMBL1854548

N#Cc1cccc(CN(Cc2ccc(-c3cccc(C(=O)NCCc4ccc(Oc5ccccc5)cc4)c3)cc2)C(=O)C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
ABCB1 P08183 1/20 0.44
HPGD P15428 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
RAB9A P51151 4/20 0.43
LPAR1 Q92633 3/20 0.42
PARP1 P09874 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
TSHR P16473 1/20 0.41
ROCK2 O75116 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 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
SCHEMBL1856432 0.90 F10 (0.47) GAAHPGDRAB9AMEN1KMT2A
SCHEMBL1855588 0.84 MEN1 (0.52) HPGDRAB9ALPAR1MEN1KMT2A
SCHEMBL1856127 0.84 EPHX2 (0.53) PARP1MEN1KMT2A
SCHEMBL1851611 0.84 GAA (0.43) GAARAB9AMEN1KMT2AUSP2
SCHEMBL5045301 0.83 GAA (0.46) GAAABCB1HPGDABCG2RAB9A
SCHEMBL1856125 0.83 MCHR1 (0.53) RAB9ALPAR1MEN1KMT2ANPC1
SCHEMBL1858105 0.82 NAMPT (0.44) GAAHDAC3HDAC1HDAC2SMN1; SMN2
SCHEMBL1853253 0.82 NAMPT (0.44) GAAHDAC3HDAC1HDAC2SMN1; SMN2
SCHEMBL1855533 0.82 GPR139 (0.43) MEN1KMT2AUSP2MMP12MMP13
SCHEMBL1855554 0.81 EPHX2 (0.45) TSHRROCK2MMP12MMP13AKR1C3

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 9 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
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 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 GAA 1305/4885ABCB1 793/4885HPGD 114/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 GAA 1385/4885ABCB1 3170/4885HPGD 2379/4885

“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.