SCHEMBL4093898

SCHEMBL4093898

COCc1cc(O)nc(NC(=N)Nc2cc(Cl)cc(Cl)c2)n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 3/20 0.33
TRPV1 Q8NER1 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
XBP1 P17861 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4097736 0.89 LMNA (0.38) L3MBTL1GAAALDH1A1TRPV1NPC1
SCHEMBL4097374 0.84 SMN1; SMN2 (0.40) L3MBTL1ALDH1A1TRPV1NPC1RAB9A
SCHEMBL5923528 0.84 ALDH1A1 (0.39) L3MBTL1ALDH1A1LMNATDP1MAPT
SCHEMBL4110073 0.84 TSHR (0.41) ALDH1A1NPC1RAB9ALMNAMAPT
SCHEMBL4094817 0.84 TSHR (0.42) L3MBTL1GAAALDH1A1RAB9ALMNA
SCHEMBL4093650 0.82 LMNA (0.38) L3MBTL1GAAALDH1A1TRPV1NPC1
SCHEMBL4104260 0.81 MAPT (0.41) L3MBTL1GAAALDH1A1NPC1RAB9A
SCHEMBL4105575 0.81 ALDH1A1 (0.39) GAAALDH1A1NPC1RAB9ALMNA
SCHEMBL4107920 0.79 TRPV1 (0.44) L3MBTL1ALDH1A1TRPV1NPC1RAB9A
SCHEMBL4100307 0.79 KMT2A (0.39) TRPV1RAB9ALMNAMAPTKMT2A

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 L3MBTL1 4634/4885GAA 4688/4885ALDH1A1 1963/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 L3MBTL1 4802/4885GAA 3613/4885ALDH1A1 1279/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 L3MBTL1 4803/4885GAA 4099/4885ALDH1A1 1073/4885
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 L3MBTL1 1304/4885GAA 1616/4885ALDH1A1 1610/4885

“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.