SCHEMBL4100615

SCHEMBL4100615

CN1CCCN(C)C1=Nc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 3/20 0.37
PABPC1 P11940 2/20 0.36
TSHR P16473 1/20 0.36
TTR P02766 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
CTDSP1 Q9GZU7 2/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL11249907 0.91 MAPT (0.43) LMNAMAPTGAAMAPK1HTT
SCHEMBL8670784 0.76 ALDH1A1 (0.53) LMNAMAPTGAAMAPK1HTT
SCHEMBL8670787 0.76 ALDH1A1 (0.53) LMNAMAPTGAAMAPK1HTT
SCHEMBL18806077 0.75 ALDH1A1 (0.51) LMNAMAPTGAAMAPK1HTT
SCHEMBL18806078 0.73 ALDH1A1 (0.53) LMNAMAPTGAAMAPK1HTT
SCHEMBL18806083 0.72 CYP3A4 (0.42) ALDH1A1CYP3A4CYP2C9CTDSP1APOBEC3A
SCHEMBL5748390 0.71 PABPC1 (0.39) MAPTGAAMAPK1ALDH1A1PABPC1
SCHEMBL8608078 0.71 GAA (0.41) LMNAMAPTGAAHTTCYP1A2
SCHEMBL11340269 0.71 LMNA (0.53) LMNAMAPTGAAMAPK1HTT
SCHEMBL11340270 0.71 LMNA (0.53) LMNAMAPTGAAMAPK1HTT

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 LMNA 117/4885MAPT 2845/4885GAA 4688/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 LMNA 132/4885MAPT 2382/4885GAA 3613/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 LMNA 85/4885MAPT 2407/4885GAA 4099/4885
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 LMNA 129/4885MAPT 3332/4885GAA 1616/4885

“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.