SCHEMBL4094683

SCHEMBL4094683

COC(=O)C(N)CCCCNC(=N)N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 5/20 0.44
NPY1R P25929 3/20 0.44
DPP7 Q9UHL4 2/20 0.44
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
ALOX15 P16050 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RRM1 P23921 1/20 0.37
NPY2R P49146 2/20 0.37
NPY5R Q15761 2/20 0.37
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35

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
SCHEMBL941102 1.00 NPY4R (0.44) NPY4RNPY1RDPP7GNAI3GNAO1
Hydrochloric Acid SCHEMBL940707 0.98 NPY4R (0.43) NPY4RNPY1RDPP7GNAI3GNAO1
SCHEMBL42488 0.95 NPY4R (0.45) NPY4RNPY1RDPP7GNAI3GNAO1
SCHEMBL157856 0.95 NPY4R (0.45) NPY4RNPY1RDPP7GNAI3GNAO1
SCHEMBL2172217 0.95 NPY4R (0.45) NPY4RNPY1RDPP7GNAI3GNAO1
Urea SCHEMBL6812514 0.93 NPY4R (0.44) NPY4RNPY1RDPP7GNAI3GNAO1
Hydrochloric Acid SCHEMBL940540 0.93 NPY4R (0.44) NPY4RNPY1RDPP7GNAI3GNAO1
Hydrochloric Acid SCHEMBL866931 0.93 NPY4R (0.44) NPY4RNPY1RDPP7GNAI3GNAO1
Guanidine SCHEMBL8907224 0.93 NPY4R (0.44) NPY4RNPY1RDPP7GNAI3GNAO1
Hydrochloric Acid SCHEMBL940539 0.93 NPY4R (0.44) NPY4RNPY1RDPP7GNAI3GNAO1

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 NPY4R 2224/4885NPY1R 1076/4885DPP7 4428/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 NPY4R 4077/4885NPY1R 3958/4885DPP7 3653/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 NPY4R 3759/4885NPY1R 3477/4885DPP7 4415/4885
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 NPY4R 3339/4885NPY1R 2588/4885DPP7 4262/4885

“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.