SCHEMBL4094517

SCHEMBL4094517

N=C(N)NC(=N)NCCCCCCO

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA12 O43570 3/20 0.41
CA9 Q16790 3/20 0.41
TDP1 Q9NUW8 1/20 0.35
ALOX15 P16050 1/20 0.34
ACHE P22303 6/20 0.33
EPHX1 P07099 1/20 0.33
EPHX2 P34913 2/20 0.31
SPHK1 Q9NYA1 1/20 0.30

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
SCHEMBL4107724 1.00 MEN1 (0.41) MEN1CYP1A2KMT2ASMN1; SMN2CA1
SCHEMBL4100510 0.98 CA1 (0.39) MEN1CYP1A2KMT2ASMN1; SMN2CA1
SCHEMBL4105469 0.91 CA1 (0.37) MEN1CYP1A2KMT2ASMN1; SMN2CA1
SCHEMBL24461912 0.91 SMN1; SMN2 (0.47) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL3071899 0.91 SMN1; SMN2 (0.47) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL3084829 0.91 SMN1; SMN2 (0.47) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL24461929 0.91 SMN1; SMN2 (0.47) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL24461915 0.91 SMN1; SMN2 (0.47) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL3063054 0.91 SMN1; SMN2 (0.47) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL3063389 0.91 SMN1; SMN2 (0.47) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15

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 MEN1 261/4885CYP1A2 1788/4885KMT2A 322/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 MEN1 294/4885CYP1A2 2280/4885KMT2A 555/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 MEN1 237/4885CYP1A2 2186/4885KMT2A 949/4885
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 MEN1 455/4885CYP1A2 2496/4885KMT2A 665/4885

“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.