SCHEMBL4093655

SCHEMBL4093655

COCc1cc(O)nc(N=C(N)Nc2ccccc2Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
GAA P10253 1/20 0.42
RAB9A P51151 2/20 0.41
LMNA P02545 5/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 6/20 0.39
MEN1 O00255 4/20 0.39
AHR P35869 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 3/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38

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
SCHEMBL4093904 0.83 GAA (0.49) SMN1; SMN2GAARAB9ALMNAHTT
SCHEMBL4097378 0.82 GAA (0.47) SMN1; SMN2GAARAB9ALMNAHTT
SCHEMBL4097743 0.82 POLB (0.49) SMN1; SMN2GAARAB9ALMNAHTT
SCHEMBL4110628 0.81 RAB9A (0.58) SMN1; SMN2RAB9ALMNAHTTALDH1A1
SCHEMBL4110078 0.80 GAA (0.47) SMN1; SMN2GAARAB9ALMNAHTT
SCHEMBL4101410 0.79 LMNA (0.42) SMN1; SMN2GAARAB9ALMNAHTT
SCHEMBL4105578 0.77 POLB (0.49) SMN1; SMN2GAARAB9ALMNAHTT
SCHEMBL4093650 0.75 LMNA (0.38) SMN1; SMN2GAARAB9ALMNAHTT
SCHEMBL4112253 0.73 RAB9A (0.54) SMN1; SMN2GAARAB9ALMNAHTT
SCHEMBL4094821 0.72 LMNA (0.44) GAARAB9ALMNAHTTALDH1A1

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 SMN1; SMN2 3027/4885GAA 4688/4885RAB9A 2870/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 SMN1; SMN2 3724/4885GAA 3613/4885RAB9A 1539/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 SMN1; SMN2 3508/4885GAA 4099/4885RAB9A 2224/4885
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 SMN1; SMN2 3800/4885GAA 1616/4885RAB9A 1450/4885

“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.