SCHEMBL4108199

SCHEMBL4108199

CN(CCCCO)C(=N)N

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 3/20 0.36
HRH4 Q9H3N8 2/20 0.34
CYP1A2 P05177 1/20 0.34
HRH2 P25021 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL4099231 0.98 NOS3 (0.47) NOS3NOS1NOS2HSD17B10ALDH1A1
SCHEMBL4103953 0.98 NOS3 (0.47) NOS3NOS1NOS2HSD17B10ALDH1A1
SCHEMBL4110084 0.93
SCHEMBL670349 0.82
SCHEMBL4104188 0.81 NOS3 (0.48) NOS3NOS1NOS2HSD17B10ALDH1A1
Bromide SCHEMBL1893054 0.80
Iodide SCHEMBL1892715 0.80
SCHEMBL10879824 0.79 SPHK2 (0.48) NOS3NOS1NOS2HSD17B10CA1
SCHEMBL4093705 0.79 SPHK2 (0.48) NOS3NOS1NOS2HSD17B10CA1
SCHEMBL4100096 0.79 SPHK2 (0.48) NOS3NOS1NOS2HSD17B10CA1

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 20 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-20050249692-A1 Polymer, cosmetic composition comprising same and method of preparing same MITSUBISHI CHEMICAL CORPORATION 2005-11-10 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
EP-1462463-A1 Guanidin-group containing polymer, cosmetic employing same and method of preparing same Mitsubishi Chemical Corporation (JP) 2004-09-29 EP disclosed
CN-1115143-C Cosmetic composition KAO CORP (JP) 2003-07-23 CN disclosed
EP-0805674-B1 SKIN AND HAIR COSMETIC COMPOSITIONS KAO CORP (JP) 2003-03-12 EP disclosed
US-20020172655-A1 Cosmetic-use polymer, cosmetic employing same, and method of preparing same MITSUBISHI CHEMICAL CORPORATION 2002-11-21 US disclosed
EP-1236744-A2 Guanidin-group containing polymer, cosmetic employing same and method of preparing same MITSUBISHI CHEMICAL CORPORATION (JP) 2002-09-04 EP disclosed
US-6348200-B1 OXYALKYLAMIDE OR AMINE DERIVATIVES;AT LEAST ONE OF POLYHYDRIC ALCOHOLS, OR VEGETABLE EXTRACTS, OR ORGANIC ACIDS; IMPROVES WATER-RETAINING ABILITY OF HORNY LAYER, CURES ROUGHNESS AND PREVENTS WRINKLES KAO CORPORATION (JP) 2002-02-19 US disclosed
CN-1065527-C Guanidine derivatives, process for producing granidine derivatives and cosmetics containing guanidine derivatives KAO CORP (JP) 2001-05-09 CN disclosed
US-6187955-B1 A MOISTURIZER FOR SOFTENING SKINS; USEFUL AS COMPONENTS OF COSMETIC FORMULATIONS KAO CORPORATION (JP) 2001-02-13 US disclosed
US-5723133-A GUANIDINE WITH ORGANIC ACID FOR SKIN SOFTENING KAO CORPORATION (JP) 1998-03-03 US disclosed
CN-1166135-A Cosmetic compsns. KAO CORP (JP) 1997-11-26 CN disclosed
EP-0805674-A1 SKIN AND HAIR COSMETIC COMPOSITIONS Kao Corporation (JP) 1997-11-12 EP disclosed
WO-1997014401-A1 SKIN AND HAIR COSMETIC COMPOSITIONS KAO CORPORATION (JP) 1997-04-24 WO disclosed
CN-1127249-A Guanidine derivatives, process for producing granidine derivatives and cosmetics containing guanidine derivatives KAO CORP (JP) 1996-07-24 CN 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 (6 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 NOS3 323/4885NOS1 166/4885NOS2 147/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 NOS3 1293/4885NOS1 591/4885NOS2 621/4885
US-20020172655-A1 Cosmetic-use polymer, cosmetic employing same, and method of preparing same DNMT1, PRMT1, JMJD6 NOS3 912/4885NOS1 178/4885NOS2 339/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 NOS3 1322/4885NOS1 681/4885NOS2 767/4885
US-20050249692-A1 Polymer, cosmetic composition comprising same and method of preparing same DNMT1, TET2, H1-0 NOS3 539/4885NOS1 213/4885NOS2 211/4885
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 NOS3 634/4885NOS1 200/4885NOS2 119/4885

“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.