SCHEMBL1851280

SCHEMBL1851280

CCCCCCCCCCCCNC(=O)c1ccc(CN(Cc2ccncc2)C(=O)C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.52
NAMPT P43490 2/20 0.52
TMEM97 Q5BJF2 2/20 0.51
SIGMAR1 Q99720 2/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
MLYCD O95822 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
CA2 P00918 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HDAC3 O15379 3/20 0.46
FOLH1 Q04609 2/20 0.45
TRPV1 Q8NER1 1/20 0.45

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
SCHEMBL1857574 0.90 NAAA (0.57) NAAAL3MBTL1TMEM97SIGMAR1THRA
SCHEMBL1859658 0.90 NAAA (0.64) NAAAL3MBTL1TMEM97SIGMAR1THRA
SCHEMBL1853512 0.90 NAAA (0.64) NAAAL3MBTL1TMEM97SIGMAR1THRA
SCHEMBL1851125 0.90 NAAA (0.64) NAAAL3MBTL1TMEM97SIGMAR1THRA
SCHEMBL1856912 0.90 TMEM97 (0.60) NAAAL3MBTL1TMEM97SIGMAR1THRA
SCHEMBL1852914 0.88 NAAA (0.56) NAAAL3MBTL1TMEM97SIGMAR1THRA
SCHEMBL1856397 0.88 NAAA (0.55) NAAAL3MBTL1NAMPTTMEM97SIGMAR1
SCHEMBL1853667 0.88 TRPV1 (0.59) NAAATMEM97SIGMAR1SMN1; SMN2TRPV1
SCHEMBL1852987 0.88 TMEM97 (0.56) NAAAL3MBTL1NAMPTTMEM97SIGMAR1
SCHEMBL1853427 0.88 TMEM97 (0.56) NAAAL3MBTL1NAMPTTMEM97SIGMAR1

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-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
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 NAAA 684/4885L3MBTL1 2368/4885NAMPT 2094/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 NAAA 1643/4885L3MBTL1 3623/4885NAMPT 1980/4885

“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.