SCHEMBL1853750

SCHEMBL1853750

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
SIGMAR1 Q99720 2/20 0.56
HDAC6 Q9UBN7 1/20 0.53
NAAA Q02083 1/20 0.52
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
TMEM97 Q5BJF2 1/20 0.50
APP P05067 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ALOX12 P18054 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48

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
SCHEMBL1854334 0.92 SIGMAR1 (0.54) NPC1RAB9ASIGMAR1HDAC6NAAA
SCHEMBL1854478 0.90 SIGMAR1 (0.53) NPC1RAB9ASIGMAR1NAAASMN1; SMN2
SCHEMBL1859810 0.89 NAAA (0.56) NPC1RAB9ASIGMAR1NAAAL3MBTL1
SCHEMBL1859658 0.89 NAAA (0.64) NPC1RAB9ASIGMAR1HDAC6NAAA
SCHEMBL1857574 0.89 NAAA (0.57) SIGMAR1NAAASMN1; SMN2L3MBTL1TMEM97
SCHEMBL1856912 0.89 TMEM97 (0.60) SIGMAR1NAAAL3MBTL1TMEM97
SCHEMBL1851125 0.89 NAAA (0.64) NPC1RAB9ASIGMAR1HDAC6NAAA
SCHEMBL1853512 0.89 NAAA (0.64) NPC1RAB9ASIGMAR1HDAC6NAAA
SCHEMBL1852914 0.87 NAAA (0.56) SIGMAR1HDAC6NAAAL3MBTL1TMEM97
SCHEMBL5040097 0.86 NPC1 (0.68) NPC1RAB9ASIGMAR1HDAC6NAAA

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 NPC1 2286/4885RAB9A 2333/4885SIGMAR1 2165/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 NPC1 2939/4885RAB9A 3290/4885SIGMAR1 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.