SCHEMBL497296

SCHEMBL497296

CC(C)Nc1ncnc(NCCCl)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.48
GAA P10253 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 2/20 0.40
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KCNH3 Q9ULD8 1/20 0.35
HRH4 Q9H3N8 2/20 0.35
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
F2 P00734 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL7626245 0.86 GAA (0.44) HTR7GAATDP1KMT2AMEN1
SCHEMBL8433636 0.85 ALDH1A1 (0.46) HTR7GAATDP1KMT2AMEN1
SCHEMBL5088409 0.81 GAA (0.52) HTR7GAATDP1KMT2AMEN1
SCHEMBL7713854 0.80 GAA (0.53) HTR7GAATDP1KMT2AMEN1
SCHEMBL30076244 0.80 GAA (0.53) HTR7GAATDP1KMT2AMEN1
SCHEMBL10572863 0.77 HRH4 (0.42) KMT2ACA1CA2CA9KCNH3
SCHEMBL8464395 0.76 KMT2A (0.46) HTR7GAAKMT2AMEN1CYP1A2
SCHEMBL2371884 0.76 GAA (0.48) HTR7GAATDP1KMT2AMEN1
SCHEMBL8854525 0.73 KCNH3 (0.49) HTR7ALDH1A1KCNH3LMNAHTT
SCHEMBL10572859 0.72 HTR7 (0.42) HTR7KMT2ACA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0568635-A1 IMPROVED GLYPHOSATE FORMULATIONS. MONSANTO CO (US) 1993-11-10 EP claimed
WO-1992012637-A1 IMPROVED GLYPHOSATE FORMULATIONS MONSANTO COMPANY (US) 1992-08-06 WO claimed
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
EP-2961739-A2 FURFURAL DERIVATIVES AS A VEHICLE Rhodia Operations (FR) 2016-01-06 EP 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-20150013032-A1 USE OF MIXED DUPLEX OLIGONUCLEOTIDES TO EFFECT LOCALIZED GENETIC CHANGES IN PLANTS CIBUS US LLC (US) 2015-01-08 US disclosed
US-20140256554-A1 COMPOSITION, METHOD FOR PRODUCING THE COMPOSITION, AND PHYTOSANITARY FORMULATION CONTAINING SAME RHODIA OPERATIONS (FR) 2014-09-11 US disclosed
EP-1218524-A2 COMPOSITIONS AND METHODS FOR PLANT GENETIC MODIFICATION Valigen Inc. (US) 2002-07-03 EP disclosed
WO-2001025460-A2 COMPOSITIONS AND METHODS FOR PLANT GENETIC MODIFICATION VALIGEN, INC. (US) 2001-04-12 WO disclosed
US-5958835-A Surfactant compositions NOVARTIS CORPORATION (FORMERLY CIBA-GEIGY CORPORATION) (US) 1999-09-28 US disclosed
US-5945082-A HERBICIDES, INSECTICIDES, FLAME RETARDANTS, PLASTICIZERS; CYANATION, SALT FORMATION, PHOSPHONATION, PHOSPHATING MONSANTO COMPANY (US) 1999-08-31 US disclosed
US-5446014-A A nonsettling solution comprising a quaternary ammonium compound paraquat dichloride as stabilizers RHONE-POULENC CHIMIE (FR) 1995-08-29 US disclosed
US-4912245-A Surfactant composition RHONE-POULENC CHIMIE (FR) 1990-03-27 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

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 HTR7 701/4885GAA 2235/4885TDP1 4386/4885

“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.