SCHEMBL1853091

SCHEMBL1853091

CCCCCCCCCCCCNC(=O)c1ccc(CN(CC2CCN(C(=O)OC(C)(C)C)CC2)C(=O)C(=O)OCC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
PKM P14618 1/20 0.47
GPR119 Q8TDV5 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM3 P20309 1/20 0.42
MEN1 O00255 1/20 0.42
CYP2C19 P33261 1/20 0.42
LIMK2 P53671 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
RORC P51449 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL1853805 0.91 KDM4E (0.51) KDM4EPKMGPR119SMN1; SMN2KMT2A
SCHEMBL6418370 0.89 KDM4E (0.43) KDM4ESMN1; SMN2ALDH1A1KMT2ACHRM2
SCHEMBL1852683 0.87 GPR119 (0.49) KDM4EPKMGPR119SMN1; SMN2ALDH1A1
SCHEMBL1853056 0.85 KDM4E (0.45) KDM4ESMN1; SMN2ALDH1A1KMT2ACHRM2
SCHEMBL1856645 0.85 GPR119 (0.49) KDM4EPKMGPR119KMT2AMEN1
SCHEMBL1853677 0.84 POLB (0.41) KDM4ESMN1; SMN2ALDH1A1CHRM2CHRM5
SCHEMBL1851903 0.83 L3MBTL1 (0.45) ALDH1A1L3MBTL1HDAC1HDAC3HDAC2
Hydrochloric Acid SCHEMBL1856700 0.82 L3MBTL1 (0.44) ALDH1A1L3MBTL1HDAC1HDAC3HDAC2
SCHEMBL1853564 0.81 GPR119 (0.47) KDM4EPKMGPR119KMT2AMEN1
SCHEMBL1851887 0.80 TGM6 (0.49) PKMSMN1; SMN2KMT2ACHRM5MEN1

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 3 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
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 (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 KDM4E 249/4885PKM 411/4885GPR119 24/4885

“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.