SCHEMBL1854346

SCHEMBL1854346

CCCCCCCCCCCCNC(=O)c1cccc(CN)c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.66
NAAA Q02083 3/20 0.64
L3MBTL1 Q9Y468 2/20 0.55
HDAC3 O15379 1/20 0.54
LOXL2 Q9Y4K0 1/20 0.52
CA2 P00918 1/20 0.52
LMNA P02545 1/20 0.51
CFD P00746 1/20 0.51
MLYCD O95822 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
SPHK2 Q9NRA0 1/20 0.48
SPHK1 Q9NYA1 1/20 0.48
ROCK2 O75116 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
SCHEMBL14459994 0.87 CFD (0.55) SMN1; SMN2HDAC3LOXL2LMNACFD
SCHEMBL6535127 0.87 SMN1; SMN2 (0.87) SMN1; SMN2NAAAL3MBTL1CA2LMNA
SCHEMBL131829 0.87 SMN1; SMN2 (0.87) SMN1; SMN2NAAAL3MBTL1CA2LMNA
SCHEMBL1857865 0.85 L3MBTL1 (0.69) SMN1; SMN2NAAAL3MBTL1HDAC3CA2
SCHEMBL21162674 0.85 CFD (0.56) SMN1; SMN2HDAC3LOXL2CFDHDAC11
SCHEMBL18736490 0.85 SMN1; SMN2 (0.57) SMN1; SMN2NAAAL3MBTL1HDAC3LOXL2
Hydrochloric Acid SCHEMBL1857136 0.84 L3MBTL1 (0.68) SMN1; SMN2NAAAL3MBTL1HDAC3CA2
SCHEMBL9490800 0.84 HDAC3 (0.66) SMN1; SMN2NAAAL3MBTL1HDAC3LMNA
SCHEMBL8269538 0.84 L3MBTL1 (0.67) SMN1; SMN2NAAAL3MBTL1HDAC3CA2
SCHEMBL13328778 0.84 SMN1; SMN2 (0.62) SMN1; SMN2NAAAL3MBTL1HDAC3CA2

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 disclosed
US-7592477-B2 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2009-09-22 US disclosed
CN-100410236-C Substituted methylene amide derivatives as protein tyrosine phosphatase modulators APPLIED RESEARCH SYSTEMS (CH) 2008-08-13 CN disclosed
CN-1633410-A Substituted methylene amide derivatives as protein tyrosine phosphatase modulators APPLIED RESEARCH SYSTEMS (AN) 2005-06-29 CN 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
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO 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 (1 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-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 SMN1; SMN2 4878/4885NAAA 1643/4885L3MBTL1 3623/4885

“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.