SCHEMBL13409018

SCHEMBL13409018

CC(=O)N[C@@H](CS)C(=O)N1CCN(C)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
ALOX15 P16050 1/20 0.52
NFKB1 P19838 1/20 0.52
PTGS2 P35354 1/20 0.52
THPO P40225 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
CYP1A2 P05177 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
CHRM1 P11229 2/20 0.38
TP53 P04637 1/20 0.38
ACACB O00763 1/20 0.38
HTR1A P08908 1/20 0.37
CYP2C19 P33261 1/20 0.36

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
SCHEMBL7719163 0.86 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL7720938 0.84 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL17378445 0.83 CYP1A2 (0.41) SMN1; SMN2KDM4ECYP1A2TDP1ALDH1A1
SCHEMBL15870265 0.82 CYP1A2 (0.40) SMN1; SMN2KDM4ECYP1A2TDP1ALDH1A1
SCHEMBL7719250 0.81 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL7713758 0.81 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL13409008 0.81 CYP1A2 (0.39) SMN1; SMN2KDM4ECYP1A2TDP1ALDH1A1
SCHEMBL28491402 0.80 PPID (0.46) SMN1; SMN2KDM4ECYP1A2TDP1ALDH1A1
SCHEMBL4459963 0.79 ALDH1A1 (0.37) SMN1; SMN2KDM4ECYP1A2TDP1ALDH1A1
SCHEMBL13645813 0.77 CYP1A2 (0.48) KDM4ECYP1A2TDP1ALDH1A1HSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105685-A1 S-Nitrosothiol Compounds and Related Derivatives GALLEON PHARMACEUTICALS, INC. 2010-04-29 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-20100105685-A1 S-Nitrosothiol Compounds and Related Derivatives NNMT, BHMT2, SQOR SMN1; SMN2 324/4885KDM4E 1106/4885MAPT 2644/4885

“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.