SCHEMBL4100435

SCHEMBL4100435

COc1ccccc1NC(=N)NC(=N)N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
GRIN2D O15399 1/20 0.53
GRIN3B O60391 1/20 0.53
GRIN1 Q05586 1/20 0.53
GRIN2A Q12879 1/20 0.53
GRIN2B Q13224 1/20 0.53
GRIN2C Q14957 1/20 0.53
GRIN3A Q8TCU5 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
MAPT P10636 3/20 0.51
HTT P42858 2/20 0.51
GAA P10253 1/20 0.51
LMNA P02545 2/20 0.49
KMT2A Q03164 2/20 0.49
HSD17B10 Q99714 1/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
RAB9A P51151 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.48

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
Hydrochloric Acid SCHEMBL20344329 0.98 ALDH1A1 (0.56) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4100432 0.87 ALDH1A1 (0.72) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1185416 0.86 ALDH1A1 (0.60) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19745318 0.86 ALDH1A1 (0.43) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2286441 0.86 ALDH1A1 (0.58) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL3720770 0.84 ALDH1A1 (0.58) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3068904 0.82 GAA (0.44) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL38790 0.77 POLB (0.54) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2755842 0.77 ALDH1A1 (0.77) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11277754 0.76 ATM (0.47) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739072-B2 Heteroaryl compounds and their use MINORYX THERAPEUTICS S.L. (ES) 2023-08-29 US disclosed
WO-2018122775-A1 HETEROARYL COMPOUNDS AND THEIR USE MINORYX THERAPEUTICS S.L. (ES) 2018-07-05 WO disclosed
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 (5 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 1963/4885GRIN2D 3517/4885GRIN3B 3422/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 ALDH1A1 1279/4885GRIN2D 4051/4885GRIN3B 3694/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 ALDH1A1 1073/4885GRIN2D 3948/4885GRIN3B 3418/4885
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 1610/4885GRIN2D 1364/4885GRIN3B 2065/4885
US-11739072-B2 Heteroaryl compounds and their use GBA1, GBA2, GAA ALDH1A1 1097/4885GRIN2D 1756/4885GRIN3B 1408/4885

“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.