SCHEMBL4099018

SCHEMBL4099018

CNC(=N)Nc1ccc(OC(C)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
MAPT P10636 3/20 0.53
GAA P10253 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HSP90AA1 P07900 1/20 0.53
LMNA P02545 2/20 0.48
HSD17B10 Q99714 3/20 0.48
HTT P42858 2/20 0.48
EPHX2 P34913 2/20 0.48
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
PKM P14618 3/20 0.44
POLB P06746 2/20 0.44
ELANE P08246 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL4095347 0.82 RAB9A (0.54) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL11811369 0.82 ALDH1A1 (0.66) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL4104242 0.81 MEN1 (0.55) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL18720307 0.80 KMT2A (0.42) KMT2AMEN1MAPTGAAALDH1A1
Diacetamate SCHEMBL863106 0.80 KMT2A (0.81) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL1964865 0.77 MAPT (0.63) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL25046378 0.77 MEN1 (0.58) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL3676589 0.77 SMN1; SMN2 (0.66) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL8264218 0.77 ALDH1A1 (0.61) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL10387416 0.75 MAPT (0.85) KMT2AMEN1MAPTGAAALDH1A1

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 4 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

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 322/4885MEN1 261/4885MAPT 2845/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 KMT2A 555/4885MEN1 294/4885MAPT 2382/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 KMT2A 949/4885MEN1 237/4885MAPT 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 KMT2A 665/4885MEN1 455/4885MAPT 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.