SCHEMBL4094766

SCHEMBL4094766

CCCCCNC(=N)NC

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.48
CASP2 P42575 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
NAAA Q02083 1/20 0.41
SPHK1 Q9NYA1 3/20 0.40
DPP7 Q9UHL4 1/20 0.38

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
SCHEMBL4098965 0.98 EPHX1 (0.52) EPHX1CASP2ALDH1A1TSHRZDHHC20
SCHEMBL2905605 0.98 EPHX1 (0.52) EPHX1CASP2ALDH1A1TSHRZDHHC20
SCHEMBL4109571 0.98 EPHX1 (0.52) EPHX1CASP2ALDH1A1TSHRZDHHC20
SCHEMBL9973238 0.98 EPHX1 (0.52) EPHX1CASP2ALDH1A1TSHRZDHHC20
SCHEMBL4094668 0.98 EPHX1 (0.52) EPHX1CASP2ALDH1A1TSHRZDHHC20
SCHEMBL4100608 0.93
SCHEMBL14868287 0.89 EPHX1 (0.43) EPHX1CASP2ALDH1A1TSHRZDHHC20
SCHEMBL88539 0.87 EPHX1 (0.54) EPHX1CASP2ALDH1A1TSHRZDHHC20
SCHEMBL9973239 0.87 EPHX1 (0.47) EPHX1CASP2ZDHHC20ZDHHC2NAAA
Hydrochloric Acid SCHEMBL1938197 0.86 EPHX1 (0.45) EPHX1CASP2ZDHHC20ZDHHC2NAAA

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-9669038-B1 Heterocyclic compounds and uses thereof GLOBAVIR BIOSCIENCES, INC. (US) 2017-06-06 US disclosed
US-9321749-B1 Heterocyclic compounds and uses thereof GLOBAVIR BIOSCIENCES, INC. (US) 2016-04-26 US disclosed
US-8324257-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-12-04 US disclosed
US-8268871-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-09-18 US disclosed
US-20100331283-A1 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2010-12-30 US disclosed
US-20100041719-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2010-02-18 US 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-7329402-B2 Methods of imaging and treatment IMARX PHARMACEUTICAL CORP. (US) 2008-02-12 US disclosed
WO-2008010043-A2 IMPROVED PROCESS FOR THE PREPARATION OF CEFORANIDE IN PURE FORM ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2008-01-24 WO 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
US-4659814-A Salts of amino-beta-lactamic acids and process for the preparation thereof GEMA, S.A. (ES) 1987-04-21 US disclosed
EP-0127541-A2 Salts of amino-beta-lactamic acids and process for the preparation thereof GEMA S.A. (ES) 1984-12-05 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 (6 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 EPHX1 3319/4885CASP2 4367/4885ALDH1A1 1963/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 EPHX1 2311/4885CASP2 3271/4885ALDH1A1 1279/4885
US-20100041719-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIF18B EPHX1 3193/4885CASP2 3758/4885ALDH1A1 2961/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 EPHX1 2359/4885CASP2 4409/4885ALDH1A1 1073/4885
US-20100331283-A1 Mitotic kinesin inhibitors and methods of use thereof KIF5B, KIF2C, KIFC1 EPHX1 3232/4885CASP2 3419/4885ALDH1A1 2827/4885
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 EPHX1 3675/4885CASP2 4303/4885ALDH1A1 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.