SCHEMBL4100669

SCHEMBL4100669

COc1ccc(NC(=N)NC(=N)N)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.51
MAPT P10636 6/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2C9 P11712 1/20 0.50
MEN1 O00255 6/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
RAB9A P51151 2/20 0.48
IMPDH2 P12268 1/20 0.48
IMPDH1 P20839 1/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 2/20 0.46

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
SCHEMBL23094066 0.88 ALDH1A1 (0.51) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL4100667 0.87 SMN1; SMN2 (0.56) KMT2AMAPTKDM4ECYP1A2CYP2C19
SCHEMBL1184403 0.86 KMT2A (0.57) KMT2AMAPTKDM4ECYP1A2CYP2C19
SCHEMBL7166437 0.84 KMT2A (0.60) KMT2AMAPTKDM4ECYP1A2CYP2C19
SCHEMBL11137030 0.84 ALDH1A1 (0.57) KMT2AMAPTKDM4EMEN1LMNA
SCHEMBL4104324 0.83 SMN1; SMN2 (0.41) KMT2AMAPTKDM4ECYP2C19CYP2C9
SCHEMBL1742030 0.79 NPC1 (0.52) KMT2AMAPTKDM4ECYP1A2CYP2C19
SCHEMBL11254618 0.78 IMPDH2 (0.64) KMT2AMAPTKDM4ECYP1A2CYP2C19
Hydrochloric Acid SCHEMBL19371378 0.78 NPC1 (0.50) KMT2AMAPTKDM4ECYP1A2CYP2C19
SCHEMBL3068902 0.78 F2 (0.43) MAPTCYP2C19CYP2C9ALDH1A1RAB9A

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 KMT2A 322/4885MAPT 2845/4885KDM4E 308/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 KMT2A 555/4885MAPT 2382/4885KDM4E 251/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 KMT2A 949/4885MAPT 2407/4885KDM4E 419/4885
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 KMT2A 665/4885MAPT 3332/4885KDM4E 1258/4885

“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.