SCHEMBL4100132

SCHEMBL4100132

N=C(N)NCCCCS(=O)(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
KMT2A Q03164 1/20 0.47
APP P05067 1/20 0.44
EPHX2 P34913 1/20 0.41
LMNA P02545 3/20 0.37
BLM P54132 3/20 0.37
CYP2C19 P33261 2/20 0.37
SLC6A6 P31641 1/20 0.37
ALB P02768 1/20 0.34
HIF1A Q16665 3/20 0.32
TSHR P16473 1/20 0.32
PTGS1 P23219 1/20 0.32
PDE4A P27815 1/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 2/20 0.32
RAB9A P51151 2/20 0.32

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
SCHEMBL4094270 0.98 ALOX15 (0.55) ALOX15SMN1; SMN2MEN1CYP1A2KMT2A
SCHEMBL11773616 0.98 ALOX15 (0.55) ALOX15SMN1; SMN2MEN1CYP1A2KMT2A
SCHEMBL11770651 0.98 ALOX15 (0.55) ALOX15SMN1; SMN2MEN1CYP1A2KMT2A
SCHEMBL4105263 0.98 ALOX15 (0.55) ALOX15SMN1; SMN2MEN1CYP1A2KMT2A
SCHEMBL11773387 0.98 ALOX15 (0.55) ALOX15SMN1; SMN2MEN1CYP1A2KMT2A
SCHEMBL1561614 0.96 ALOX15 (0.56) ALOX15SMN1; SMN2MEN1CYP1A2KMT2A
SCHEMBL33972 0.86 ALOX15 (0.50) ALOX15SMN1; SMN2MEN1CYP1A2KMT2A
SCHEMBL28685473 0.86 ALOX15 (0.50) ALOX15SMN1; SMN2MEN1CYP1A2KMT2A
Arcaine SCHEMBL1999196 0.86 ALOX15 (0.70) ALOX15SMN1; SMN2MEN1CYP1A2KMT2A
Agmatine SCHEMBL27814729 0.84 BLM (0.52) ALOX15SMN1; SMN2MEN1CYP1A2KMT2A

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 5 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
US-3943253-A Guanido acids as fungicides BARER SOL J 1976-03-09 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 ALOX15 3082/4885SMN1; SMN2 3027/4885MEN1 261/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 ALOX15 4484/4885SMN1; SMN2 3724/4885MEN1 294/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 ALOX15 4080/4885SMN1; SMN2 3508/4885MEN1 237/4885
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 ALOX15 2498/4885SMN1; SMN2 3800/4885MEN1 455/4885

“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.