SCHEMBL4097497

SCHEMBL4097497

CC(C)=NNC(=N)NC(=S)Nc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.54
ALDH1A1 P00352 5/20 0.48
TAS2R38 P59533 3/20 0.48
CYP3A4 P08684 2/20 0.48
HSD17B10 Q99714 2/20 0.48
GAA P10253 5/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
NOX1 Q9Y5S8 1/20 0.46
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP2C9 P11712 2/20 0.42
LMNA P02545 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL7499424 0.83 GAA (0.60) EPHX1ALDH1A1TAS2R38CYP3A4HSD17B10
SCHEMBL4475837 0.81 RAB9A (0.49) EPHX1ALDH1A1HSD17B10GAAKMT2A
SCHEMBL11763947 0.78 EPHX1 (0.67) EPHX1ALDH1A1TAS2R38CYP3A4HSD17B10
SCHEMBL25050322 0.73 EPHX1 (0.51) EPHX1ALDH1A1TAS2R38CYP3A4HSD17B10
SCHEMBL730314 0.73 ALDH1A1 (0.80) EPHX1ALDH1A1TAS2R38CYP3A4HSD17B10
SCHEMBL8223150 0.73 GAA (0.60) EPHX1ALDH1A1TAS2R38CYP3A4HSD17B10
SCHEMBL11136394 0.72 LMNA (0.53) EPHX1ALDH1A1TAS2R38CYP3A4HSD17B10
SCHEMBL11689139 0.71 EPHX1 (0.58) EPHX1ALDH1A1TAS2R38CYP3A4HSD17B10
N-(Phenylcarbamothioyl)Acetamide SCHEMBL5458065 0.71 EPHX1 (1.00) EPHX1ALDH1A1TAS2R38CYP3A4HSD17B10
SCHEMBL3421577 0.71 ALDH1A1 (0.63) EPHX1ALDH1A1TAS2R38CYP3A4HSD17B10

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 6 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
EP-1532963-A1 Composition for straightening the hair comprising at least one imine not being an hydroxide L'OREAL (FR) 2005-05-25 EP disclosed
EP-1532960-A1 Hair styling composition containing a non-hydroxide imine L'OREAL (FR) 2005-05-25 EP 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 EPHX1 3319/4885ALDH1A1 1963/4885TAS2R38 620/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 EPHX1 2311/4885ALDH1A1 1279/4885TAS2R38 1332/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 EPHX1 2359/4885ALDH1A1 1073/4885TAS2R38 964/4885
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 EPHX1 3675/4885ALDH1A1 1610/4885TAS2R38 835/4885

“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.