SCHEMBL4099547

SCHEMBL4099547

CNC(=N)NC1CCOCC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
BRD4 O60885 4/20 0.32
MAPK1 P28482 2/20 0.32
MAPT P10636 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
CHRM4 P08173 1/20 0.31

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
SCHEMBL14595668 0.88 CHRM4 (0.33) BRD4CHRM4
SCHEMBL4103926 0.86 MAPK1 (0.34) MAPK1MAPTNPSR1ALDH1A1KDM4E
SCHEMBL7886607 0.84
SCHEMBL26044029 0.79
SCHEMBL4103966 0.79 SIGMAR1 (0.43) MAPTALDH1A1KDM4E
SCHEMBL4100399 0.77 SIGMAR1 (0.46) MAPTNPSR1ALDH1A1KDM4E
SCHEMBL19848975 0.77 ALDH1A1 (0.36) BRD4MAPK1MAPTNPSR1ALDH1A1
SCHEMBL21587975 0.77
SCHEMBL24340204 0.76 EPHX2 (0.48) BRD4
SCHEMBL14595306 0.76 EPHX2 (0.48) BRD4

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 16 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 claimed
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE L'OREAL S.A. 2009-06-04 US claimed
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 claimed
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine L'OREAL 2005-06-16 US claimed
EP-1532963-A1 Composition for straightening the hair comprising at least one imine not being an hydroxide L'OREAL (FR) 2005-05-25 EP claimed
EP-1532960-A1 Hair styling composition containing a non-hydroxide imine L'OREAL (FR) 2005-05-25 EP claimed
US-20230312564-A1 AROMATIC RING-LACTAM COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI RINGENE BIOPHARMA CO., LTD. (CN) 2023-10-05 US disclosed
US-11718610-B2 Compounds containing benzosultam MEDSHINE DISCOVERY INC. (CN) 2023-08-08 US disclosed
WO-2021216777-A1 ERK INHIBITORS FOR CANCER THERAPY THE TRUSTEES OF THE STEVENS INSTITUTE OF TECHNOLOGY (US) 2021-10-28 WO disclosed
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-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases FINK CYNTHIA A 2007-03-15 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 (7 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-20230312564-A1 AROMATIC RING-LACTAM COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, WEE2, WASF2 KAT2B 3856/4885BAZ2B 1052/4885BRD4 1745/4885
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE KRT18, INMT, INHA KAT2B 2023/4885BAZ2B 3413/4885BRD4 2965/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 KAT2B 2358/4885BAZ2B 2983/4885BRD4 3372/4885
US-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases BRAF, RAF1, NRAS KAT2B 3165/4885BAZ2B 1116/4885BRD4 302/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 KAT2B 2587/4885BAZ2B 3377/4885BRD4 3171/4885
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 KAT2B 3588/4885BAZ2B 3975/4885BRD4 4658/4885
US-11718610-B2 Compounds containing benzosultam TBXA2R, TBXAS1, SULT2A1 KAT2B 1513/4885BAZ2B 2736/4885BRD4 898/4885

“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.