SCHEMBL5088409

SCHEMBL5088409

CC(C)Nc1ncnc(NC(C)C)n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
CYP1A2 P05177 2/20 0.48
KCNH3 Q9ULD8 4/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 3/20 0.46
MAPK1 P28482 2/20 0.46
LMNA P02545 2/20 0.46
F2 P00734 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HTR7 P34969 1/20 0.41
HRH4 Q9H3N8 2/20 0.41
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK8 P45983 1/20 0.40

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
SCHEMBL2371884 0.89 GAA (0.48) GAATDP1KMT2AMEN1CYP1A2
SCHEMBL7713854 0.85 GAA (0.53) GAATDP1KMT2AMEN1CYP1A2
SCHEMBL30076244 0.85 GAA (0.53) GAATDP1KMT2AMEN1CYP1A2
SCHEMBL9818452 0.84 KCNH3 (0.41) GAATDP1KMT2AMEN1CYP1A2
SCHEMBL11568367 0.84 GAA (0.59) GAATDP1KMT2AMEN1CYP1A2
SCHEMBL11444075 0.84 RAB9A (0.49) GAATDP1KMT2AALDH1A1HTT
SCHEMBL8612319 0.84 MAPK1 (0.39) GAATDP1KMT2AMEN1CYP1A2
SCHEMBL30273056 0.84 GAA (0.39) GAATDP1KMT2AMEN1CYP1A2
SCHEMBL12356605 0.84 GAA (0.39) GAATDP1KMT2AMEN1CYP1A2
SCHEMBL7626245 0.84 GAA (0.44) GAATDP1KMT2AMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1179981-B1 BROAD SPECTRUM ANTIMICROBIAL MIXTURES TROY TECHNOLOGY CORP INC (US) 2004-06-30 EP claimed
WO-2021027246-A1 CONDUCTIVE CARBON BLACK COATING LIQUID AND CONDUCTIVE THIN FILM 苏州高泰电子技术股份有限公司 2021-02-18 WO disclosed
EP-2770827-B1 COMPOSITION, METHOD FOR PRODUCING THE COMPOSITION, AND PHYTOSANITARY FORMULATION CONTAINING SAME RHODIA OPERATIONS (FR) 2019-07-17 EP disclosed
EP-2547199-B1 NOVEL USES OF ESTERAMIDE COMPOUNDS RHODIA OPERATIONS (FR) 2018-05-16 EP disclosed
EP-2547651-B1 ESTERAMIDE COMPOUNDS, METHODS FOR PREPARING SAME, AND USES THEREOF RHODIA OPERATIONS (FR) 2016-10-19 EP disclosed
US-9420780-B2 Composition, method for producing the composition, and phytosanitary formulation containing same RHODIA OPERATIONS (FR) 2016-08-23 US disclosed
US-9388345-B2 Hydrocarbon synthesis methods, apparatus, and systems SARTEC CORPORATION (US) 2016-07-12 US disclosed
US-9090538-B2 Uses of esteramide compounds RHODIA OPERATIONS (FR) 2015-07-28 US disclosed
US-8981148-B2 Esteramide compounds, methods for preparing same, and uses thereof RHODIA OPERATIONS (FR) 2015-03-17 US disclosed
US-20140256554-A1 COMPOSITION, METHOD FOR PRODUCING THE COMPOSITION, AND PHYTOSANITARY FORMULATION CONTAINING SAME RHODIA OPERATIONS (FR) 2014-09-11 US disclosed
WO-2013053834-A1 COMPOSITION, METHOD FOR PRODUCING THE COMPOSITION, AND PHYTOSANITARY FORMULATION CONTAINING SAME RHODIA OPERATIONS (FR) 2013-04-18 WO disclosed
EP-2547199-A2 NOVEL USES OF ESTERAMIDE COMPOUNDS Rhodia Operations (FR) 2013-01-23 EP disclosed
EP-2547651-A1 NOVEL ESTERAMIDE COMPOUNDS, METHODS FOR PREPARING SAME, AND USES THEREOF Rhodia Operations (FR) 2013-01-23 EP disclosed
WO-2008000797-A2 ANTIMICROBIAL MICROPARTICLES THOR GMBH (DE) 2008-01-03 WO disclosed
WO-1995028410-A1 BIOLOGICALLY ACTIVE COMPOSITION HENKEL CORPORATION (US) 1995-10-26 WO disclosed
US-4990175-A Foliar applied herbicidal compositions containing a silicone glycolsilicone alkane terpolymer adjuvant DOW CORNING CORPORATION (US) 1991-02-05 US disclosed
US-4867972-A Novel surface-active compositions containing polydicarboxylic acid polymer and surfactant RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1989-09-19 US disclosed
EP-0201417-B1 SURFACTANT COMPOSITION, PROCESS FOR ITS PREPARATION AND ITS USE RHONE-POULENC CHIMIE (FR) 1988-09-14 EP disclosed
EP-0201417-A1 Surfactant composition, process for its preparation and its use RHONE-POULENC CHIMIE (FR) 1986-11-12 EP disclosed
EP-0103055-A1 N-phosphonomethylglycine derivatives and herbicidal compositions containing them Geshuri Laboratories Ltd. (IL) 1984-03-21 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 (1 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-20140256554-A1 COMPOSITION, METHOD FOR PRODUCING THE COMPOSITION, AND PHYTOSANITARY FORMULATION CONTAINING SAME C1R, CNR2, SRR GAA 2235/4885TDP1 4386/4885KMT2A 3356/4885

“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.