SCHEMBL4099215

SCHEMBL4099215

COC(=O)C1(N=C(N)N)CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.36
ERAP1 Q9NZ08 4/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
CYP3A4 P08684 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.32
TSHR P16473 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
SCHEMBL4104418 0.80 ALOX15 (0.38) ALDH1A1SMN1; SMN2ERAP1MEN1KMT2A
SCHEMBL1274800 0.79 NPSR1 (0.52) NPSR1ALDH1A1SMN1; SMN2MAPTERAP1
SCHEMBL1274802 0.79 NPSR1 (0.52) NPSR1ALDH1A1SMN1; SMN2MAPTERAP1
SCHEMBL4435261 0.73 NPSR1 (0.46) NPSR1ALDH1A1SMN1; SMN2MAPTCYP4F2
SCHEMBL243441 0.73 NPSR1 (0.46) NPSR1ALDH1A1SMN1; SMN2MAPTCYP4F2
SCHEMBL7547696 0.71 NPSR1 (0.47) NPSR1ALDH1A1MAPTCYP4F2CYP4A11
SCHEMBL595761 0.69 NPSR1 (0.45) NPSR1ALDH1A1SMN1; SMN2MAPTCYP4F2
SCHEMBL1772581 0.69 NPSR1 (0.48) NPSR1ALDH1A1SMN1; SMN2MAPTCYP4F2
SCHEMBL28766822 0.69 NPSR1 (0.48) NPSR1ALDH1A1SMN1; SMN2MAPTCYP4F2
SCHEMBL240008 0.69 NPSR1 (0.48) NPSR1ALDH1A1SMN1; SMN2MAPTCYP4F2

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 NPSR1 1467/4885ALDH1A1 1963/4885SMN1; SMN2 3027/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 NPSR1 4490/4885ALDH1A1 1279/4885SMN1; SMN2 3724/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 NPSR1 4271/4885ALDH1A1 1073/4885SMN1; SMN2 3508/4885
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 NPSR1 1897/4885ALDH1A1 1610/4885SMN1; SMN2 3800/4885

“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.