SCHEMBL6418370

SCHEMBL6418370

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
CHRM5 P08912 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM3 P20309 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NAAA Q02083 1/20 0.41
TMEM97 Q5BJF2 4/20 0.41
SIGMAR1 Q99720 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC3 O15379 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MLYCD O95822 1/20 0.38

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
SCHEMBL1853091 0.89 KDM4E (0.47) KDM4ECHRM5CHRM2CHRM3L3MBTL1
SCHEMBL1853677 0.88 POLB (0.41) KDM4ECHRM5CHRM2CHRM3L3MBTL1
SCHEMBL1851903 0.87 L3MBTL1 (0.45) L3MBTL1ALDH1A1NAAATMEM97SIGMAR1
SCHEMBL6420590 0.86 KDM4E (0.45) KDM4ECHRM5CHRM2CHRM3L3MBTL1
Hydrochloric Acid SCHEMBL1856700 0.86 L3MBTL1 (0.44) L3MBTL1ALDH1A1NAAATMEM97SIGMAR1
SCHEMBL1853056 0.85 KDM4E (0.45) KDM4ECHRM5CHRM2CHRM3L3MBTL1
SCHEMBL1851887 0.83 TGM6 (0.49) CHRM5SMN1; SMN2MEN1KMT2A
SCHEMBL1855043 0.82 THRA (0.44) L3MBTL1NAAATMEM97SIGMAR1THRA
SCHEMBL1853805 0.81 KDM4E (0.51) KDM4ESMN1; SMN2TP53HDAC1HDAC3
SCHEMBL1856766 0.81 NAAA (0.57) KDM4EL3MBTL1ALDH1A1NAAATMEM97

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
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 KDM4E 249/4885CHRM5 2468/4885CHRM2 3483/4885

“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.