SCHEMBL4097713

SCHEMBL4097713

COC(=O)CCN(C)C(=N)N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
TSHR P16473 4/20 0.46
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
KDM5A P29375 2/20 0.38
TMPRSS15 P98073 3/20 0.36
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35
TPSAB1 Q15661 1/20 0.35
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MGAM O43451 1/20 0.33
GAA P10253 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
SCHEMBL4092904 0.89 TSHR (0.50) KMT2AMEN1TSHRNOS3NOS1
SCHEMBL4099173 0.87 TSHR (0.48) KMT2AMEN1TSHRNOS3NOS1
SCHEMBL4098732 0.85 TSHR (0.47) KMT2AMEN1TSHRNOS3NOS1
SCHEMBL3175734 0.81 NOS3 (0.52) NOS3NOS1NOS2KDM5ATPSAB1
SCHEMBL4093905 0.81 NOS3 (0.45) KMT2AMEN1TSHRNOS3NOS1
SCHEMBL4093127 0.81 CYP1A2 (0.46) KMT2AMEN1TSHRNOS3NOS1
SCHEMBL3056410 0.79 CA1 (0.41) KMT2AMEN1TSHRNOS3NOS1
SCHEMBL4102785 0.78 DNM1 (0.44) KMT2AMEN1NOS3NOS1NOS2
SCHEMBL9968690 0.77 NOS3 (0.47) NOS3NOS1NOS2LMNATPSAB1
SCHEMBL28721469 0.77 KMT2A (0.61) KMT2AMEN1TSHRLMNAKDM4E

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 261/4885TSHR 1694/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 KMT2A 555/4885MEN1 294/4885TSHR 3766/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 KMT2A 949/4885MEN1 237/4885TSHR 3770/4885
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 455/4885TSHR 1691/4885

“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.