SCHEMBL4097736

SCHEMBL4097736

COCc1cc(O)nc(NC(=N)Nc2ccc(Cl)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 7/20 0.38
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
TRPV1 Q8NER1 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 2/20 0.34
S1PR4 O95977 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL5923528 0.94 ALDH1A1 (0.39) LMNATDP1MAPTALDH1A1KMT2A
SCHEMBL4093898 0.89 L3MBTL1 (0.35) LMNATDP1MAPTALDH1A1KMT2A
SCHEMBL4097374 0.88 SMN1; SMN2 (0.40) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL4105575 0.88 ALDH1A1 (0.39) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL4104260 0.88 MAPT (0.41) LMNATDP1MAPTALDH1A1KMT2A
SCHEMBL4094817 0.88 TSHR (0.42) LMNATDP1MAPTALDH1A1KMT2A
SCHEMBL4110073 0.88 TSHR (0.41) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL4101491 0.83 L3MBTL1 (0.41) LMNATDP1MAPTKMT2AMEN1
SCHEMBL4093650 0.81 LMNA (0.38) LMNATDP1MAPTALDH1A1KMT2A
SCHEMBL4107920 0.80 TRPV1 (0.44) LMNAMAPTALDH1A1KMT2AMEN1

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 LMNA 117/4885TDP1 1124/4885MAPT 2845/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 LMNA 132/4885TDP1 2777/4885MAPT 2382/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 LMNA 85/4885TDP1 2495/4885MAPT 2407/4885
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 LMNA 129/4885TDP1 2060/4885MAPT 3332/4885

“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.