SCHEMBL4093098

SCHEMBL4093098

Cc1cc(O)nc(NC(N)=Nc2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
KMT2A Q03164 4/20 0.49
GRIN2D O15399 3/20 0.49
GRIN3B O60391 3/20 0.49
GRIN1 Q05586 3/20 0.49
GRIN2A Q12879 3/20 0.49
GRIN2B Q13224 3/20 0.49
GRIN2C Q14957 3/20 0.49
GRIN3A Q8TCU5 3/20 0.49
SIGMAR1 Q99720 3/20 0.49
CYP2D6 P10635 2/20 0.49
SLC6A2 P23975 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 3/20 0.46
CRHBP P24387 3/20 0.46
CRHR2 Q13324 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 4/20 0.44
NOS1 P29475 1/20 0.44

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
SCHEMBL10498921 0.91 LMNA (0.61) LMNAKMT2AGRIN2DGRIN3BGRIN1
SCHEMBL10498925 0.91 LMNA (0.61) LMNAKMT2AGRIN2DGRIN3BGRIN1
SCHEMBL4105759 0.84 ADORA2A (0.55) LMNAKMT2ASIGMAR1MEN1CRHBP
SCHEMBL4109150 0.83 SIGMAR1 (0.61) LMNAKMT2AGRIN2DGRIN3BGRIN1
SCHEMBL4099108 0.83 HTR3E (0.44) LMNAKMT2AGRIN2DGRIN3BGRIN1
SCHEMBL4108930 0.82 HTR3E (0.50) LMNAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4100865 0.80 NOS3 (0.43) LMNAKMT2AGRIN2DGRIN3BGRIN1
SCHEMBL6507406 0.80 RAB9A (0.52) LMNAKMT2AGRIN2DGRIN3BGRIN1
SCHEMBL2803592 0.79 KMT2A (0.51) LMNAKMT2AGRIN2DGRIN3BGRIN1
SCHEMBL4113783 0.79 GRIN2D (0.56) LMNAKMT2AGRIN2DGRIN3BGRIN1

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 117/4885KMT2A 322/4885GRIN2D 3517/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 LMNA 132/4885KMT2A 555/4885GRIN2D 4051/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 LMNA 85/4885KMT2A 949/4885GRIN2D 3948/4885
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 129/4885KMT2A 665/4885GRIN2D 1364/4885

“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.