SCHEMBL4100432

SCHEMBL4100432

COc1ccccc1NC(=N)NC(N)=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.72
MAPT P10636 3/20 0.56
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56
KMT2A Q03164 2/20 0.54
LMNA P02545 3/20 0.54
HSD17B10 Q99714 1/20 0.54
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL4100435 0.87 ALDH1A1 (0.58) ALDH1A1MAPTGAAHTTKMT2A
Hydrochloric Acid SCHEMBL20344329 0.86 ALDH1A1 (0.56) ALDH1A1MAPTGAAHTTKMT2A
SCHEMBL2755842 0.85 ALDH1A1 (0.77) ALDH1A1MAPTGAAHTTKMT2A
SCHEMBL2286441 0.83 ALDH1A1 (0.58) ALDH1A1MAPTGAAHTTKMT2A
SCHEMBL1185416 0.80 ALDH1A1 (0.60) ALDH1A1MAPTGAAHTTKMT2A
SCHEMBL6212986 0.79 POLB (0.70) ALDH1A1MAPTHTTKMT2ALMNA
Hydrochloric Acid SCHEMBL3720770 0.78 ALDH1A1 (0.58) ALDH1A1MAPTGAAHTTKMT2A
SCHEMBL2330080 0.78 ALDH1A1 (0.59) ALDH1A1MAPTGAAHTTKMT2A
SCHEMBL6695373 0.78 ATM (0.51) ALDH1A1GAAHTTKMT2AL3MBTL1
SCHEMBL30233758 0.77 ALDH1A1 (0.66) ALDH1A1MAPTGAAHTTKMT2A

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 ALDH1A1 1963/4885MAPT 2845/4885GAA 4688/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 ALDH1A1 1279/4885MAPT 2382/4885GAA 3613/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 ALDH1A1 1073/4885MAPT 2407/4885GAA 4099/4885
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 ALDH1A1 1610/4885MAPT 3332/4885GAA 1616/4885

“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.