SCHEMBL4093622

SCHEMBL4093622

CNC(=N)NCC(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.50
RECQL P46063 1/20 0.48
TSHR P16473 5/20 0.40
HSD17B10 Q99714 3/20 0.40
GAA P10253 3/20 0.39
KDM4E B2RXH2 3/20 0.39
EPHX2 P34913 1/20 0.39
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CA12 O43570 2/20 0.34
CA2 P00918 2/20 0.34
CA14 Q9ULX7 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL3812157 0.86 TET2 (0.35) TET2RECQLGAAALDH1A1
SCHEMBL14056719 0.81 PTPRC (0.36) TET2GAAMEN1KMT2ACA12
SCHEMBL4094021 0.81 GAA (0.52) TSHRGAAKDM4EEPHX2MGAM
SCHEMBL4097709 0.78 TSHR (0.48) TET2RECQLTSHRHSD17B10GAA
SCHEMBL4098852 0.78 GAA (0.37) GAASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1551259 0.76
SCHEMBL14177603 0.76 ALDH1A1 (0.36) ALDH1A1LMNA
SCHEMBL13676693 0.76 TET2 (0.54) TET2RECQLTSHRHSD17B10GAA
SCHEMBL4092909 0.75 TSHR (0.52) RECQLTSHREPHX2SMN1; SMN2CA12
SCHEMBL11789819 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine MALLE GERARD 2009-08-06 US disclosed
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE L'OREAL S.A. 2009-06-04 US disclosed
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin L'OREAL S.A. (FR) 2005-06-23 US disclosed
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine L'OREAL 2005-06-16 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 (4 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-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE KRT18, INMT, INHA TET2 176/4885RECQL 321/4885TSHR 1694/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 TET2 92/4885RECQL 366/4885TSHR 3766/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 TET2 112/4885RECQL 352/4885TSHR 3770/4885
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin BHMT, KRT18, INMT TET2 1211/4885RECQL 1320/4885TSHR 1691/4885

“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.