SCHEMBL4094021

SCHEMBL4094021

CCOC(=O)CNC(=N)NC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.42
PPID Q08752 3/20 0.42
ALDH1A1 P00352 5/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.41
PPIB P23284 1/20 0.41
PPIA P62937 1/20 0.41
PPIG Q13427 1/20 0.41
TRPA1 O75762 1/20 0.40
EPHX2 P34913 1/20 0.40
NLRP3 Q96P20 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL4098852 0.85 GAA (0.37) GAASMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL4093622 0.81 TET2 (0.50) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL4093132 0.81 GAA (0.45) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8144854 0.79 GAA (0.55) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL27256023 0.79 GAA (0.55) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL4093123 0.78 CYP1A2 (0.47) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL4104132 0.78 GAA (0.53) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL5841649 0.77 GAA (0.57) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL4100366 0.77 ALDH1A1 (0.50) GAAMGAMSIMGAM2SMN1; SMN2
SCHEMBL7089973 0.76 GAA (0.61) GAAMGAMSIMGAM2SMN1; SMN2

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 GAA 4688/4885MGAM 2457/4885SI 1610/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 GAA 3613/4885MGAM 2722/4885SI 1363/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 GAA 4099/4885MGAM 2914/4885SI 2149/4885
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 GAA 1616/4885MGAM 2076/4885SI 1007/4885

“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.