SCHEMBL4108244

SCHEMBL4108244

CC(C)(C)NC(=N)NC(=N)N

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NOS1 P29475 1/20 0.31
EPHX1 P07099 1/20 0.30

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
SCHEMBL19041345 0.83 MEN1 (0.40) MEN1KMT2AEPHX1
Iodide SCHEMBL5453631 0.80
SCHEMBL27532474 0.80
SCHEMBL4105241 0.77
SCHEMBL1275944 0.76 MEN1 (0.44) MEN1KMT2AEPHX1
SCHEMBL20315914 0.76 EPHX1 (0.36) MEN1KMT2AEPHX1
Hydrochloric Acid SCHEMBL28486558 0.75
SCHEMBL24018750 0.74 MEN1 (0.33) MEN1KMT2AEPHX1
SCHEMBL12562530 0.74 MEN1 (0.33) MEN1KMT2AEPHX1
SCHEMBL27299135 0.74

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250078-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC (US) 2023-08-10 US disclosed
US-20230250078-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC (US) 2023-08-10 US disclosed
US-11505538-B1 Therapeutically active compounds and their methods of use SERVIER PHARMACEUTICALS LLC (US) 2022-11-22 US disclosed
EP-3984997-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE Les Laboratoires Servier SAS (FR) 2022-04-20 EP disclosed
US-10294215-B2 Therapeutically active compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2019-05-21 US disclosed
US-20180177749-A1 USE OF CYP EXPRESSION TO DIRECT THERAPEUTIC INTERVENTION IN CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-06-28 US disclosed
EP-2800743-B1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2018-04-04 EP disclosed
US-20170298045-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2017-10-19 US disclosed
US-20170298045-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2017-10-19 US disclosed
US-9732062-B2 Therapeutically active compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-20140163136-A1 HYDROPHILIC BIOCIDAL COATINGS EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2014-06-12 US disclosed
US-20130190287-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2013-07-25 US disclosed
US-20130190287-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2013-07-25 US disclosed
WO-2013102431-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2013-07-11 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-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 (11 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-20230250078-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE MCL1, TP53, BRDT MEN1 1875/4885KMT2A 2484/4885NOS1 4641/4885
US-11505538-B1 Therapeutically active compounds and their methods of use MCL1, TP53, BRDT MEN1 1875/4885KMT2A 2484/4885NOS1 4641/4885
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE KRT18, INMT, INHA MEN1 261/4885KMT2A 322/4885NOS1 166/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 MEN1 294/4885KMT2A 555/4885NOS1 591/4885
US-20170298045-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE MCL1, TP53, BRDT MEN1 1875/4885KMT2A 2484/4885NOS1 4641/4885
US-20140163136-A1 HYDROPHILIC BIOCIDAL COATINGS SCNN1G, FHIT, PARG MEN1 4201/4885KMT2A 373/4885NOS1 2089/4885
US-20130190287-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE MCL1, TP53, BRDT MEN1 1875/4885KMT2A 2484/4885NOS1 4641/4885
US-10294215-B2 Therapeutically active compounds and their methods of use MCL1, TP53, BRDT MEN1 1875/4885KMT2A 2484/4885NOS1 4641/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 MEN1 237/4885KMT2A 949/4885NOS1 681/4885
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 MEN1 455/4885KMT2A 665/4885NOS1 200/4885
US-20180177749-A1 USE OF CYP EXPRESSION TO DIRECT THERAPEUTIC INTERVENTION IN CANCER EPHX1, EPHX2, CYP4X1 MEN1 4833/4885KMT2A 1854/4885NOS1 1154/4885

“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.