SCHEMBL4093134

SCHEMBL4093134

CN(C)c1ccc(/C=N/NC(=N)N)cc1[N+](=O)[O-]

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.78
ALDH1A1 P00352 10/20 0.78
SMN1; SMN2 Q16637 4/20 0.78
MAPK1 P28482 2/20 0.65
KDM4E B2RXH2 3/20 0.61
LMNA P02545 3/20 0.47
HPGD P15428 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HCAR3 P49019 1/20 0.45
POLB P06746 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL4093137 1.00 MAPT (0.78) MAPTALDH1A1SMN1; SMN2MAPK1KDM4E
SCHEMBL7750400 0.81 MAPT (0.65) MAPTALDH1A1SMN1; SMN2MAPK1KDM4E
SCHEMBL7750404 0.81 MAPT (0.65) MAPTALDH1A1SMN1; SMN2MAPK1KDM4E
SCHEMBL17044430 0.81 MAPT (0.52) MAPTALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL17044432 0.81 MAPT (0.52) MAPTALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL13673552 0.81 GRIN2D (0.65) MAPTALDH1A1SMN1; SMN2MAPK1KDM4E
SCHEMBL13673551 0.81 GRIN2D (0.65) MAPTALDH1A1SMN1; SMN2MAPK1KDM4E
Hydrochloric Acid SCHEMBL5703028 0.80 MAPT (0.51) MAPTALDH1A1SMN1; SMN2LMNAHPGD
Hydrochloric Acid SCHEMBL5703032 0.80 MAPT (0.51) MAPTALDH1A1SMN1; SMN2LMNAHPGD
Hydrochloric Acid SCHEMBL6511812 0.80 MAPT (0.63) MAPTALDH1A1SMN1; SMN2MAPK1KDM4E

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 MAPT 2845/4885ALDH1A1 1963/4885SMN1; SMN2 3027/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 MAPT 2382/4885ALDH1A1 1279/4885SMN1; SMN2 3724/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 MAPT 2407/4885ALDH1A1 1073/4885SMN1; SMN2 3508/4885
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 MAPT 3332/4885ALDH1A1 1610/4885SMN1; SMN2 3800/4885

“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.